9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane

C99H166N18O2 — CID 157083041

IUPAC9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-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(N3CCC4N=CN=C4C3)CC2)CC1.Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)cc(C)n1.Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)ccn1
InChIInChI=1S/C22H39N3O.C20H33N5O.C20H34N4.C19H31N3.C18H29N3/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;1-19(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)24-12-9-20(10-13-24)7-4-16(5-8-20)23-11-6-17-18(14-23)22-15-21-17;1-15-12-17(13-16(2)20-15)21-9-6-19(7-10-21)8-11-22(14-19)18(3,4)5;1-15-13-16(5-9-19-15)20-10-6-18(7-11-20)8-12-21(14-18)17(2,3)4/h17-19H,4-16H2,1-3H3,(H,23,26);15-16H,4-14H2,1-3H3;15-17H,4-14H2,1-3H3;12-13H,6-11,14H2,1-5H3;5,9,13H,6-8,10-12,14H2,1-4H3
InChIKeyADTRFXJWDKDIHD-UHFFFAOYSA-N
MW1640.54 g/mol
LogP16.60
Rot. Bonds6

About 9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane

9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane (PubChem CID 157083041) has the molecular formula C99H166N18O2 and a molecular weight of 1640.54 g/mol. Its IUPAC name is 9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane
PubChem CID157083041
Molecular FormulaC99H166N18O2
Molecular Weight1640.54 g/mol
Exact Mass1639.34
IUPAC Name9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-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(N3CCC4N=CN=C4C3)CC2)CC1.Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)cc(C)n1.Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)ccn1
InChIInChI=1S/C22H39N3O.C20H33N5O.C20H34N4.C19H31N3.C18H29N3/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;1-19(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)24-12-9-20(10-13-24)7-4-16(5-8-20)23-11-6-17-18(14-23)22-15-21-17;1-15-12-17(13-16(2)20-15)21-9-6-19(7-10-21)8-11-22(14-19)18(3,4)5;1-15-13-16(5-9-19-15)20-10-6-18(7-11-20)8-12-21(14-18)17(2,3)4/h17-19H,4-16H2,1-3H3,(H,23,26);15-16H,4-14H2,1-3H3;15-17H,4-14H2,1-3H3;12-13H,6-11,14H2,1-5H3;5,9,13H,6-8,10-12,14H2,1-4H3
InChIKeyADTRFXJWDKDIHD-UHFFFAOYSA-N
XLogP16.60
TPSA159.78 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001640.54
LogP ≤ 516.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

1-[6-(1,1-difluorobutyl)-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2S,5R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperazin-1-yl]ethanone;1-[6-[(2,4-difluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2S,5R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperazin-1-yl]ethanone;1-[6-[(2,4-difluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2S,5R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperazin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[(5-methyl-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanone
CID 160013957
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
[(2S,3R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[2-[4-[5-[[(5-fluoropyrimidin-2-yl)amino]methyl]-1-(2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 170977643
3-[4-[[4-[4-[6-[5-[(2R)-2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]-2-fluorophenyl]piperidine-2,6-dione
CID 172316519
1-[4-[[4-[4-[6-[5-[(2R)-2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]phenyl]-1,3-diazinane-2,4-dione
CID 172316856
3-[4-[[4-[4-[6-[5-[(2R)-2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]phenyl]piperidine-2,6-dione
CID 172318378
1-[4-[[4-[4-[6-[5-[(2R)-2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methyl]-3-fluorophenyl]-1,3-diazinane-2,4-dione
CID 172318828
2-[2-[5-[5-[[(1-Acetylpiperidin-4-yl)amino]methyl]-7-amino-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-2-yl]phenyl]-1-[4-[[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone
CID 91456824
1-[2-[4-[[4-[(6-Amino-2,4-dimethyl-3-pyridinyl)methylamino]-2,3-dihydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenyl]-1-[4-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]-1-(2-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 118499842
2-[[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]amino]-1-piperidin-1-ylethanone
CID 134330525
2-[acetyl(methyl)amino]-N-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]acetamide;4-[[3-methyl-5-[6-methyl-1-(trideuteriomethyl)pyrazolo[3,4-b]pyridin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
CID 138734566
2-[[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]amino]-1-pyrrolidin-1-ylethanone
CID 138734593

Frequently Asked Questions

What is the IUPAC name of 9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane (CID 157083041) is 9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-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(N3CCC4N=CN=C4C3)CC2)CC1.Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)cc(C)n1.Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)ccn1.
What is the InChIKey of 9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is ADTRFXJWDKDIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O.C20H33N5O.C20H34N4.C19H31N3.C18H29N3/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;1-19(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)24-12-9-20(10-13-24)7-4-16(5-8-20)23-11-6-17-18(14-23)22-15-21-17;1-15-12-17(13-16(2)20-15)21-9-6-19(7-10-21)8-11-22(14-19)18(3,4)5;1-15-13-16(5-9-19-15)20-10-6-18(7-11-20)8-12-21(14-18)17(2,3)4/h17-19H,4-16H2,1-3H3,(H,23,26);15-16H,4-14H2,1-3H3;15-17H,4-14H2,1-3H3;12-13H,6-11,14H2,1-5H3;5,9,13H,6-8,10-12,14H2,1-4H3.
What are the key properties of 9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane?
9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 1640.54 g/mol, XLogP of 16.60, 6 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-tert-butyl-3-azaspiro[5.5]undecane;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;2-tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 157083041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).