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

C23H27N9O — CID 135362177

IUPACN-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide
SMILESCc1cc2c(c(N)n1)CC[C@H]2NC(=O)c1cn(Cc2cnc(N3CC4CC4C3)nc2C)nn1
InChIInChI=1S/C23H27N9O/c1-12-5-18-17(21(24)26-12)3-4-19(18)28-22(33)20-11-32(30-29-20)10-16-7-25-23(27-13(16)2)31-8-14-6-15(14)9-31/h5,7,11,14-15,19H,3-4,6,8-10H2,1-2H3,(H2,24,26)(H,28,33)/t14?,15?,19-/m1/s1
InChIKeyXDBBPZMNZIKLHM-JFIBYHEFSA-N
MW445.53 g/mol
LogP1.58
Rot. Bonds5

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

N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide (PubChem CID 135362177) has the molecular formula C23H27N9O and a molecular weight of 445.53 g/mol. Its IUPAC name is N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide
PubChem CID135362177
Molecular FormulaC23H27N9O
Molecular Weight445.53 g/mol
Exact Mass445.23
IUPAC NameN-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide
SMILESCc1cc2c(c(N)n1)CC[C@H]2NC(=O)c1cn(Cc2cnc(N3CC4CC4C3)nc2C)nn1
InChIInChI=1S/C23H27N9O/c1-12-5-18-17(21(24)26-12)3-4-19(18)28-22(33)20-11-32(30-29-20)10-16-7-25-23(27-13(16)2)31-8-14-6-15(14)9-31/h5,7,11,14-15,19H,3-4,6,8-10H2,1-2H3,(H2,24,26)(H,28,33)/t14?,15?,19-/m1/s1
InChIKeyXDBBPZMNZIKLHM-JFIBYHEFSA-N
XLogP1.58
TPSA127.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide (CID 135362177) is N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide is Cc1cc2c(c(N)n1)CC[C@H]2NC(=O)c1cn(Cc2cnc(N3CC4CC4C3)nc2C)nn1.
What is the InChIKey of N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide?
The InChIKey is XDBBPZMNZIKLHM-JFIBYHEFSA-N. The full InChI is InChI=1S/C23H27N9O/c1-12-5-18-17(21(24)26-12)3-4-19(18)28-22(33)20-11-32(30-29-20)10-16-7-25-23(27-13(16)2)31-8-14-6-15(14)9-31/h5,7,11,14-15,19H,3-4,6,8-10H2,1-2H3,(H2,24,26)(H,28,33)/t14?,15?,19-/m1/s1.
What are the key properties of N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide?
N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 135362177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).