N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane

C100H160F3N19O2 — CID 161472460

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCC(C(=O)N3CCn4ncnc4C3)CC2)CC1.CC(C)(C)N1CCC2(CCC(C(=O)NC3CN4CCC3CC4)CC2)CC1.CC(C)(C)N1CCC2(CCC(N3CCn4ccnc4C3)CC2)CC1.CC(C)(C)N1CCC2(CCN(c3ccc4cnccc4c3)CC2)C1.CC(C)(C)N1CCC2(CCN(c3ccnc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C22H39N3O.C21H29N3.C20H33N5O.C20H34N4.C17H25F3N4/c1-21(2,3)25-14-10-22(11-15-25)8-4-18(5-9-22)20(26)23-19-16-24-12-6-17(19)7-13-24;1-20(2,3)24-13-9-21(16-24)7-11-23(12-8-21)19-5-4-18-15-22-10-6-17(18)14-19;1-19(2,3)24-10-8-20(9-11-24)6-4-16(5-7-20)18(26)23-12-13-25-17(14-23)21-15-22-25;1-19(2,3)24-11-8-20(9-12-24)6-4-17(5-7-20)23-15-14-22-13-10-21-18(22)16-23;1-15(2,3)24-11-7-16(12-24)5-9-23(10-6-16)13-4-8-21-14(22-13)17(18,19)20/h17-19H,4-16H2,1-3H3,(H,23,26);4-6,10,14-15H,7-9,11-13,16H2,1-3H3;15-16H,4-14H2,1-3H3;10,13,17H,4-9,11-12,14-16H2,1-3H3;4,8H,5-7,9-12H2,1-3H3
InChIKeyWDGQVECGIIYANT-UHFFFAOYSA-N
MW1717.50 g/mol
LogP17.39
Rot. Bonds6

About N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane (PubChem CID 161472460) has the molecular formula C100H160F3N19O2 and a molecular weight of 1717.50 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
PubChem CID161472460
Molecular FormulaC100H160F3N19O2
Molecular Weight1717.50 g/mol
Exact Mass1716.30
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCC(C(=O)N3CCn4ncnc4C3)CC2)CC1.CC(C)(C)N1CCC2(CCC(C(=O)NC3CN4CCC3CC4)CC2)CC1.CC(C)(C)N1CCC2(CCC(N3CCn4ccnc4C3)CC2)CC1.CC(C)(C)N1CCC2(CCN(c3ccc4cnccc4c3)CC2)C1.CC(C)(C)N1CCC2(CCN(c3ccnc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C22H39N3O.C21H29N3.C20H33N5O.C20H34N4.C17H25F3N4/c1-21(2,3)25-14-10-22(11-15-25)8-4-18(5-9-22)20(26)23-19-16-24-12-6-17(19)7-13-24;1-20(2,3)24-13-9-21(16-24)7-11-23(12-8-21)19-5-4-18-15-22-10-6-17(18)14-19;1-19(2,3)24-10-8-20(9-11-24)6-4-16(5-7-20)18(26)23-12-13-25-17(14-23)21-15-22-25;1-19(2,3)24-11-8-20(9-12-24)6-4-17(5-7-20)23-15-14-22-13-10-21-18(22)16-23;1-15(2,3)24-11-7-16(12-24)5-9-23(10-6-16)13-4-8-21-14(22-13)17(18,19)20/h17-19H,4-16H2,1-3H3,(H,23,26);4-6,10,14-15H,7-9,11-13,16H2,1-3H3;15-16H,4-14H2,1-3H3;10,13,17H,4-9,11-12,14-16H2,1-3H3;4,8H,5-7,9-12H2,1-3H3
InChIKeyWDGQVECGIIYANT-UHFFFAOYSA-N
XLogP17.39
TPSA165.77 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001717.50
LogP ≤ 517.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane with MolForge

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Launch Full Analysis

Related Compounds

US11071730, Example 105
CID 146592462
[4-[4-Amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 58529767
N-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 88996442
1-[3-[3-Amino-6-[4-[[5-[3-amino-6-[4-[[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 123148779
1-[3-[3-Amino-7-[4-[[5-[3-amino-7-[4-[[2-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)pyrimidin-5-yl]carbamoylamino]-5-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]pyrazin-2-yl]carbamoylamino]-5-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 123264147
1-[5-[3-Amino-6-[4-[[2-[3-amino-6-[4-[[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 123963859
4-[8-amino-3-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-4-[6-[(1-methylpyrazol-4-yl)amino]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 132216460
N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136631207
N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145034647
N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 154939096
N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(propanoylamino)-3-pyridinyl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 156156375
1-N-[(3R)-1-[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]-2-N-[(3S)-1-[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]-3-N-[(3R)-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]-2-[2-[[(3S)-1-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]propane-1,2,3-tricarboxamide
CID 156275174

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane (CID 161472460) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane is CC(C)(C)N1CCC2(CCC(C(=O)N3CCn4ncnc4C3)CC2)CC1.CC(C)(C)N1CCC2(CCC(C(=O)NC3CN4CCC3CC4)CC2)CC1.CC(C)(C)N1CCC2(CCC(N3CCn4ccnc4C3)CC2)CC1.CC(C)(C)N1CCC2(CCN(c3ccc4cnccc4c3)CC2)C1.CC(C)(C)N1CCC2(CCN(c3ccnc(C(F)(F)F)n3)CC2)C1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The InChIKey is WDGQVECGIIYANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O.C21H29N3.C20H33N5O.C20H34N4.C17H25F3N4/c1-21(2,3)25-14-10-22(11-15-25)8-4-18(5-9-22)20(26)23-19-16-24-12-6-17(19)7-13-24;1-20(2,3)24-13-9-21(16-24)7-11-23(12-8-21)19-5-4-18-15-22-10-6-17(18)14-19;1-19(2,3)24-10-8-20(9-11-24)6-4-16(5-7-20)18(26)23-12-13-25-17(14-23)21-15-22-25;1-19(2,3)24-11-8-20(9-12-24)6-4-17(5-7-20)23-15-14-22-13-10-21-18(22)16-23;1-15(2,3)24-11-7-16(12-24)5-9-23(10-6-16)13-4-8-21-14(22-13)17(18,19)20/h17-19H,4-16H2,1-3H3,(H,23,26);4-6,10,14-15H,7-9,11-13,16H2,1-3H3;15-16H,4-14H2,1-3H3;10,13,17H,4-9,11-12,14-16H2,1-3H3;4,8H,5-7,9-12H2,1-3H3.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane has a molecular weight of 1717.50 g/mol, XLogP of 17.39, 6 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-tert-butyl-3-azaspiro[5.5]undecane-9-carboxamide;(3-tert-butyl-3-azaspiro[5.5]undecan-9-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;3-tert-butyl-9-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-azaspiro[5.5]undecane;2-tert-butyl-8-isoquinolin-6-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 161472460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).