N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole

C189H199F2N35O10 — CID 158842412

IUPACN-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole
SMILESCC1(CCNc2cc(C3=NCc4ccccc43)ccn2)OCCO1.CN(C)[C@@H]1CCN(c2cc(C3=NCc4ccccc43)ccn2)C1.CN1CCC2(CCN(c3cc(C4=NCc5ccccc54)ccn3)C2)C1.Cc1nc2c([nH]1)CN(c1cc(C3=NCc4ccccc43)ccn1)C2.F[C@H]1COC[C@@H]1Nc1cc(C2=NCc3ccccc32)ccn1.F[C@H]1COC[C@H]1Nc1cc(C2=NCc3ccccc32)ccn1.O=C(O)C1CCCN(c2cc(C3=NCc4ccccc43)ccn2)C1.OCC1CN(c2cc(C3=NCc4ccccc43)ccn2)CCCO1.c1ccc2c(c1)CN=C2c1ccnc(N2CCC(CN3CCOCC3)CC2)c1.c1ccc2c(c1)CN=C2c1ccnc(NC2COC2)c1
InChIInChI=1S/C23H28N4O.C21H24N4.C19H17N5.C19H22N4.C19H21N3O2.C19H19N3O2.C19H21N3O2.2C17H16FN3O.C16H15N3O/c1-2-4-21-20(3-1)16-25-23(21)19-5-8-24-22(15-19)27-9-6-18(7-10-27)17-26-11-13-28-14-12-26;1-24-10-7-21(14-24)8-11-25(15-21)19-12-16(6-9-22-19)20-18-5-3-2-4-17(18)13-23-20;1-12-22-16-10-24(11-17(16)23-12)18-8-13(6-7-20-18)19-15-5-3-2-4-14(15)9-21-19;1-22(2)16-8-10-23(13-16)18-11-14(7-9-20-18)19-17-6-4-3-5-15(17)12-21-19;1-19(23-10-11-24-19)7-9-21-17-12-14(6-8-20-17)18-16-5-3-2-4-15(16)13-22-18;23-19(24)15-5-3-9-22(12-15)17-10-13(7-8-20-17)18-16-6-2-1-4-14(16)11-21-18;23-13-16-12-22(8-3-9-24-16)18-10-14(6-7-20-18)19-17-5-2-1-4-15(17)11-21-19;2*18-14-9-22-10-15(14)21-16-7-11(5-6-19-16)17-13-4-2-1-3-12(13)8-20-17;1-2-4-14-12(3-1)8-18-16(14)11-5-6-17-15(7-11)19-13-9-20-10-13/h1-5,8,15,18H,6-7,9-14,16-17H2;2-6,9,12H,7-8,10-11,13-15H2,1H3;2-8H,9-11H2,1H3,(H,22,23);3-7,9,11,16H,8,10,12-13H2,1-2H3;2-6,8,12H,7,9-11,13H2,1H3,(H,20,21);1-2,4,6-8,10,15H,3,5,9,11-12H2,(H,23,24);1-2,4-7,10,16,23H,3,8-9,11-13H2;2*1-7,14-15H,8-10H2,(H,19,21);1-7,13H,8-10H2,(H,17,19)/t;;;16-;;;;14-,15+;14-,15-;/m...1...00./s1
InChIKeyIYKIPLOBJKLDSC-UORGDPMOSA-N
MW3158.90 g/mol
LogP26.66
Rot. Bonds31

About N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole

N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole (PubChem CID 158842412) has the molecular formula C189H199F2N35O10 and a molecular weight of 3158.90 g/mol. Its IUPAC name is N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole.

Molecular Properties

Compound NameN-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole
PubChem CID158842412
Molecular FormulaC189H199F2N35O10
Molecular Weight3158.90 g/mol
Exact Mass3156.61
IUPAC NameN-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole
SMILESCC1(CCNc2cc(C3=NCc4ccccc43)ccn2)OCCO1.CN(C)[C@@H]1CCN(c2cc(C3=NCc4ccccc43)ccn2)C1.CN1CCC2(CCN(c3cc(C4=NCc5ccccc54)ccn3)C2)C1.Cc1nc2c([nH]1)CN(c1cc(C3=NCc4ccccc43)ccn1)C2.F[C@H]1COC[C@@H]1Nc1cc(C2=NCc3ccccc32)ccn1.F[C@H]1COC[C@H]1Nc1cc(C2=NCc3ccccc32)ccn1.O=C(O)C1CCCN(c2cc(C3=NCc4ccccc43)ccn2)C1.OCC1CN(c2cc(C3=NCc4ccccc43)ccn2)CCCO1.c1ccc2c(c1)CN=C2c1ccnc(N2CCC(CN3CCOCC3)CC2)c1.c1ccc2c(c1)CN=C2c1ccnc(NC2COC2)c1
InChIInChI=1S/C23H28N4O.C21H24N4.C19H17N5.C19H22N4.C19H21N3O2.C19H19N3O2.C19H21N3O2.2C17H16FN3O.C16H15N3O/c1-2-4-21-20(3-1)16-25-23(21)19-5-8-24-22(15-19)27-9-6-18(7-10-27)17-26-11-13-28-14-12-26;1-24-10-7-21(14-24)8-11-25(15-21)19-12-16(6-9-22-19)20-18-5-3-2-4-17(18)13-23-20;1-12-22-16-10-24(11-17(16)23-12)18-8-13(6-7-20-18)19-15-5-3-2-4-14(15)9-21-19;1-22(2)16-8-10-23(13-16)18-11-14(7-9-20-18)19-17-6-4-3-5-15(17)12-21-19;1-19(23-10-11-24-19)7-9-21-17-12-14(6-8-20-17)18-16-5-3-2-4-15(16)13-22-18;23-19(24)15-5-3-9-22(12-15)17-10-13(7-8-20-17)18-16-6-2-1-4-14(16)11-21-18;23-13-16-12-22(8-3-9-24-16)18-10-14(6-7-20-18)19-17-5-2-1-4-15(17)11-21-19;2*18-14-9-22-10-15(14)21-16-7-11(5-6-19-16)17-13-4-2-1-3-12(13)8-20-17;1-2-4-14-12(3-1)8-18-16(14)11-5-6-17-15(7-11)19-13-9-20-10-13/h1-5,8,15,18H,6-7,9-14,16-17H2;2-6,9,12H,7-8,10-11,13-15H2,1H3;2-8H,9-11H2,1H3,(H,22,23);3-7,9,11,16H,8,10,12-13H2,1-2H3;2-6,8,12H,7,9-11,13H2,1H3,(H,20,21);1-2,4,6-8,10,15H,3,5,9,11-12H2,(H,23,24);1-2,4-7,10,16,23H,3,8-9,11-13H2;2*1-7,14-15H,8-10H2,(H,19,21);1-7,13H,8-10H2,(H,17,19)/t;;;16-;;;;14-,15+;14-,15-;/m...1...00./s1
InChIKeyIYKIPLOBJKLDSC-UORGDPMOSA-N
XLogP26.66
TPSA480.60 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds31
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003158.90
LogP ≤ 526.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole?
The IUPAC name of N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole (CID 158842412) is N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole.
What is the SMILES notation for N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole?
The canonical SMILES for N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole is CC1(CCNc2cc(C3=NCc4ccccc43)ccn2)OCCO1.CN(C)[C@@H]1CCN(c2cc(C3=NCc4ccccc43)ccn2)C1.CN1CCC2(CCN(c3cc(C4=NCc5ccccc54)ccn3)C2)C1.Cc1nc2c([nH]1)CN(c1cc(C3=NCc4ccccc43)ccn1)C2.F[C@H]1COC[C@@H]1Nc1cc(C2=NCc3ccccc32)ccn1.F[C@H]1COC[C@H]1Nc1cc(C2=NCc3ccccc32)ccn1.O=C(O)C1CCCN(c2cc(C3=NCc4ccccc43)ccn2)C1.OCC1CN(c2cc(C3=NCc4ccccc43)ccn2)CCCO1.c1ccc2c(c1)CN=C2c1ccnc(N2CCC(CN3CCOCC3)CC2)c1.c1ccc2c(c1)CN=C2c1ccnc(NC2COC2)c1.
What is the InChIKey of N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole?
The InChIKey is IYKIPLOBJKLDSC-UORGDPMOSA-N. The full InChI is InChI=1S/C23H28N4O.C21H24N4.C19H17N5.C19H22N4.C19H21N3O2.C19H19N3O2.C19H21N3O2.2C17H16FN3O.C16H15N3O/c1-2-4-21-20(3-1)16-25-23(21)19-5-8-24-22(15-19)27-9-6-18(7-10-27)17-26-11-13-28-14-12-26;1-24-10-7-21(14-24)8-11-25(15-21)19-12-16(6-9-22-19)20-18-5-3-2-4-17(18)13-23-20;1-12-22-16-10-24(11-17(16)23-12)18-8-13(6-7-20-18)19-15-5-3-2-4-14(15)9-21-19;1-22(2)16-8-10-23(13-16)18-11-14(7-9-20-18)19-17-6-4-3-5-15(17)12-21-19;1-19(23-10-11-24-19)7-9-21-17-12-14(6-8-20-17)18-16-5-3-2-4-15(16)13-22-18;23-19(24)15-5-3-9-22(12-15)17-10-13(7-8-20-17)18-16-6-2-1-4-14(16)11-21-18;23-13-16-12-22(8-3-9-24-16)18-10-14(6-7-20-18)19-17-5-2-1-4-15(17)11-21-19;2*18-14-9-22-10-15(14)21-16-7-11(5-6-19-16)17-13-4-2-1-3-12(13)8-20-17;1-2-4-14-12(3-1)8-18-16(14)11-5-6-17-15(7-11)19-13-9-20-10-13/h1-5,8,15,18H,6-7,9-14,16-17H2;2-6,9,12H,7-8,10-11,13-15H2,1H3;2-8H,9-11H2,1H3,(H,22,23);3-7,9,11,16H,8,10,12-13H2,1-2H3;2-6,8,12H,7,9-11,13H2,1H3,(H,20,21);1-2,4,6-8,10,15H,3,5,9,11-12H2,(H,23,24);1-2,4-7,10,16,23H,3,8-9,11-13H2;2*1-7,14-15H,8-10H2,(H,19,21);1-7,13H,8-10H2,(H,17,19)/t;;;16-;;;;14-,15+;14-,15-;/m...1...00./s1.
What are the key properties of N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole?
N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole has a molecular weight of 3158.90 g/mol, XLogP of 26.66, 31 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;N-[(3R,4R)-4-fluorooxolan-3-yl]-4-(3H-isoindol-1-yl)pyridin-2-amine;4-(3H-isoindol-1-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-2-amine;4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine;(3R)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;2-[4-(3H-isoindol-1-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonane;[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]-1,4-oxazepan-2-yl]methanol;1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidine-3-carboxylic acid;4-[[1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-yl]methyl]morpholine;3-[2-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-4-pyridinyl]-1H-isoindole is sourced from PubChem (CID 158842412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).