1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide

C25H27N7O — CID 156826604

IUPAC1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
SMILESCc1c(Cn2cc(C(=O)N[C@@H]3CCc4c3ncn4C)cn2)ccc(N2CC3CC3C2)c1C#N
InChIInChI=1S/C25H27N7O/c1-15-16(3-5-22(20(15)8-26)31-10-17-7-18(17)11-31)12-32-13-19(9-28-32)25(33)29-21-4-6-23-24(21)27-14-30(23)2/h3,5,9,13-14,17-18,21H,4,6-7,10-12H2,1-2H3,(H,29,33)/t17?,18?,21-/m1/s1
InChIKeyRWWJGLSDNLGBOT-WIXQSORDSA-N
MW441.54 g/mol
LogP2.72
Rot. Bonds5

About 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide

1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide (PubChem CID 156826604) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
PubChem CID156826604
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
SMILESCc1c(Cn2cc(C(=O)N[C@@H]3CCc4c3ncn4C)cn2)ccc(N2CC3CC3C2)c1C#N
InChIInChI=1S/C25H27N7O/c1-15-16(3-5-22(20(15)8-26)31-10-17-7-18(17)11-31)12-32-13-19(9-28-32)25(33)29-21-4-6-23-24(21)27-14-30(23)2/h3,5,9,13-14,17-18,21H,4,6-7,10-12H2,1-2H3,(H,29,33)/t17?,18?,21-/m1/s1
InChIKeyRWWJGLSDNLGBOT-WIXQSORDSA-N
XLogP2.72
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
CID 156826324
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-cyano-4-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826448
1-[[2-cyano-4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
CID 156826625
1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
CID 156826644
1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-((4,6-dimethyl-1H-indol-5-yl)methyl)-1H-pyrazole-4-carboxamide
CID 156152302
1-cyclopropyl-N-[3-[1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]-4-pyridin-4-ylpyrazol-3-yl]phenyl]imidazole-4-carboxamide
CID 177374980
1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156825920
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(difluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156825954
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156825970
1-[[2-bromo-4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826023
1-[[5-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826026
1-[[4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-fluorophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826028

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide (CID 156826604) is 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide is Cc1c(Cn2cc(C(=O)N[C@@H]3CCc4c3ncn4C)cn2)ccc(N2CC3CC3C2)c1C#N.
What is the InChIKey of 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The InChIKey is RWWJGLSDNLGBOT-WIXQSORDSA-N. The full InChI is InChI=1S/C25H27N7O/c1-15-16(3-5-22(20(15)8-26)31-10-17-7-18(17)11-31)12-32-13-19(9-28-32)25(33)29-21-4-6-23-24(21)27-14-30(23)2/h3,5,9,13-14,17-18,21H,4,6-7,10-12H2,1-2H3,(H,29,33)/t17?,18?,21-/m1/s1.
What are the key properties of 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 156826604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).