1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide

C23H26N8O — CID 159185334

IUPAC1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide
SMILESCc1nc(N2CC3CC3C2)ncc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3C)nn1
InChIInChI=1S/C23H26N8O/c1-13-17(8-25-23(26-13)30-9-15-7-16(15)10-30)11-31-12-21(28-29-31)22(32)27-20-4-3-18-14(2)24-6-5-19(18)20/h5-6,8,12,15-16,20H,3-4,7,9-11H2,1-2H3,(H,27,32)/t15?,16?,20-/m1/s1
InChIKeyQPMPDMXWVVEOSJ-ALLBUHFWSA-N
MW430.52 g/mol
LogP2.00
Rot. Bonds5

About 1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide

1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide (PubChem CID 159185334) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide
PubChem CID159185334
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide
SMILESCc1nc(N2CC3CC3C2)ncc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3C)nn1
InChIInChI=1S/C23H26N8O/c1-13-17(8-25-23(26-13)30-9-15-7-16(15)10-30)11-31-12-21(28-29-31)22(32)27-20-4-3-18-14(2)24-6-5-19(18)20/h5-6,8,12,15-16,20H,3-4,7,9-11H2,1-2H3,(H,27,32)/t15?,16?,20-/m1/s1
InChIKeyQPMPDMXWVVEOSJ-ALLBUHFWSA-N
XLogP2.00
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide with MolForge

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Related Compounds

N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide
CID 146564410
1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826214
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]triazole-4-carboxamide
CID 156826349
1-[[2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 146392302
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide
CID 156661083
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 153453467
7-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 146392248
(1S,2S,3S,4S)-3-[(1-benzyltriazole-4-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98233009
1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide
CID 153404082
N-(2-adamantyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 25371189
2-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-4-carboxamide
CID 166195499
1-[[2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]triazole-4-carboxamide
CID 156826208

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide?
The IUPAC name of 1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide (CID 159185334) is 1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide is Cc1nc(N2CC3CC3C2)ncc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3C)nn1.
What is the InChIKey of 1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide?
The InChIKey is QPMPDMXWVVEOSJ-ALLBUHFWSA-N. The full InChI is InChI=1S/C23H26N8O/c1-13-17(8-25-23(26-13)30-9-15-7-16(15)10-30)11-31-12-21(28-29-31)22(32)27-20-4-3-18-14(2)24-6-5-19(18)20/h5-6,8,12,15-16,20H,3-4,7,9-11H2,1-2H3,(H,27,32)/t15?,16?,20-/m1/s1.
What are the key properties of 1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide?
1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide is sourced from PubChem (CID 159185334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).