(3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane

C141H205N23O7 — CID 157330425

IUPAC(3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC(C)c1ccc(N2C3CCC2CC(O)C3)cn1.CC(C)c1ccc(N2C3CCC2CC(O)C3)cn1.CC(C)c1ccc(N2CC3CC2CO3)cn1.CC(C)c1ccc(N2C[C@@H]3C[C@H]2CO3)cn1.CC(C)c1ccc(N2C[C@H]3C[C@@H]2CO3)cn1.CC(C)c1ccc(N2[C@@H]3CC[C@H]2CC(O)C3)cn1.CC(C)c1ccc(N2[C@@H]3CC[C@H]2CC(O)C3)cn1.CC(C)c1cccc(N2CCC3CNCC32)n1.CC(C)c1cccc(N2CC[C@@H]3CNC[C@@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CNC[C@H]32)n1
InChIInChI=1S/4C15H22N2O.3C14H21N3.3C13H18N2O/c4*1-10(2)15-6-5-13(9-16-15)17-11-3-4-12(17)8-14(18)7-11;3*1-10(2)12-4-3-5-14(16-12)17-7-6-11-8-15-9-13(11)17;3*1-9(2)13-4-3-10(6-14-13)15-7-12-5-11(15)8-16-12/h4*5-6,9-12,14,18H,3-4,7-8H2,1-2H3;3*3-5,10-11,13,15H,6-9H2,1-2H3;3*3-4,6,9,11-12H,5,7-8H2,1-2H3/t2*11-,12+,14?;;;2*11-,13+;;2*11-,12-;/m....10.10./s1
InChIKeyBFFJMVCCEASPCM-SNVFDLLNSA-N
MW2334.34 g/mol
LogP23.35
Rot. Bonds20

About (3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane

(3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 157330425) has the molecular formula C141H205N23O7 and a molecular weight of 2334.34 g/mol. Its IUPAC name is (3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID157330425
Molecular FormulaC141H205N23O7
Molecular Weight2334.34 g/mol
Exact Mass2332.64
IUPAC Name(3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC(C)c1ccc(N2C3CCC2CC(O)C3)cn1.CC(C)c1ccc(N2C3CCC2CC(O)C3)cn1.CC(C)c1ccc(N2CC3CC2CO3)cn1.CC(C)c1ccc(N2C[C@@H]3C[C@H]2CO3)cn1.CC(C)c1ccc(N2C[C@H]3C[C@@H]2CO3)cn1.CC(C)c1ccc(N2[C@@H]3CC[C@H]2CC(O)C3)cn1.CC(C)c1ccc(N2[C@@H]3CC[C@H]2CC(O)C3)cn1.CC(C)c1cccc(N2CCC3CNCC32)n1.CC(C)c1cccc(N2CC[C@@H]3CNC[C@@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CNC[C@H]32)n1
InChIInChI=1S/4C15H22N2O.3C14H21N3.3C13H18N2O/c4*1-10(2)15-6-5-13(9-16-15)17-11-3-4-12(17)8-14(18)7-11;3*1-10(2)12-4-3-5-14(16-12)17-7-6-11-8-15-9-13(11)17;3*1-9(2)13-4-3-10(6-14-13)15-7-12-5-11(15)8-16-12/h4*5-6,9-12,14,18H,3-4,7-8H2,1-2H3;3*3-5,10-11,13,15H,6-9H2,1-2H3;3*3-4,6,9,11-12H,5,7-8H2,1-2H3/t2*11-,12+,14?;;;2*11-,13+;;2*11-,12-;/m....10.10./s1
InChIKeyBFFJMVCCEASPCM-SNVFDLLNSA-N
XLogP23.35
TPSA306.00 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002334.34
LogP ≤ 523.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze (3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-6-[[5-(difluoromethyl)-6-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperazin-2-yl]-2-pyridinyl]amino]-2-pyridinyl]amino]ethanol
CID 172296694
(3aR,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 157050014
(3aR,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 157235003
N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);3-(6-propan-2-yl-3-pyridinyl)cyclobutan-1-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3R)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
CID 157389332
1-[[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]propan-2-ol;(2S)-1-[[4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]propan-2-ol;(2S)-1-[[4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]propan-2-ol
CID 157436254
CID 157631227
CID 157631227
N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3R)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
CID 157665787
bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aR,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aS)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aS,6aS)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;bis(1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol
CID 157979454
1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine
CID 158385428
2-(azetidin-3-yl)-6-propan-2-ylpyridine;2-(1-methylazetidin-3-yl)-6-propan-2-ylpyridine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
CID 158420233
bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 158651947
2-[[4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]ethanol;2-[[4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]ethanol;2-[[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]ethanol
CID 158773471

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 157330425) is (3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane is CC(C)c1ccc(N2C3CCC2CC(O)C3)cn1.CC(C)c1ccc(N2C3CCC2CC(O)C3)cn1.CC(C)c1ccc(N2CC3CC2CO3)cn1.CC(C)c1ccc(N2C[C@@H]3C[C@H]2CO3)cn1.CC(C)c1ccc(N2C[C@H]3C[C@@H]2CO3)cn1.CC(C)c1ccc(N2[C@@H]3CC[C@H]2CC(O)C3)cn1.CC(C)c1ccc(N2[C@@H]3CC[C@H]2CC(O)C3)cn1.CC(C)c1cccc(N2CCC3CNCC32)n1.CC(C)c1cccc(N2CC[C@@H]3CNC[C@@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CNC[C@H]32)n1.
What is the InChIKey of (3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is BFFJMVCCEASPCM-SNVFDLLNSA-N. The full InChI is InChI=1S/4C15H22N2O.3C14H21N3.3C13H18N2O/c4*1-10(2)15-6-5-13(9-16-15)17-11-3-4-12(17)8-14(18)7-11;3*1-10(2)12-4-3-5-14(16-12)17-7-6-11-8-15-9-13(11)17;3*1-9(2)13-4-3-10(6-14-13)15-7-12-5-11(15)8-16-12/h4*5-6,9-12,14,18H,3-4,7-8H2,1-2H3;3*3-5,10-11,13,15H,6-9H2,1-2H3;3*3-4,6,9,11-12H,5,7-8H2,1-2H3/t2*11-,12+,14?;;;2*11-,13+;;2*11-,12-;/m....10.10./s1.
What are the key properties of (3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
(3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 2334.34 g/mol, XLogP of 23.35, 20 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;(3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;bis((1S,5R)-8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);bis(8-(6-propan-2-yl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol);(1S,4S)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;(1R,4R)-5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane;5-(6-propan-2-yl-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 157330425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).