N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide

C22H22N8O — CID 129103579

IUPACN-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
SMILESNc1nccc2c1C(NC(=O)c1cn(Cc3ccc(Cn4cccn4)cc3)nn1)CC2
InChIInChI=1S/C22H22N8O/c23-21-20-17(8-10-24-21)6-7-18(20)26-22(31)19-14-30(28-27-19)13-16-4-2-15(3-5-16)12-29-11-1-9-25-29/h1-5,8-11,14,18H,6-7,12-13H2,(H2,23,24)(H,26,31)
InChIKeyBAZJOBLYOILXCF-UHFFFAOYSA-N
MW414.47 g/mol
LogP1.97
Rot. Bonds6

About N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide

N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 129103579) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID129103579
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC NameN-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
SMILESNc1nccc2c1C(NC(=O)c1cn(Cc3ccc(Cn4cccn4)cc3)nn1)CC2
InChIInChI=1S/C22H22N8O/c23-21-20-17(8-10-24-21)6-7-18(20)26-22(31)19-14-30(28-27-19)13-16-4-2-15(3-5-16)12-29-11-1-9-25-29/h1-5,8-11,14,18H,6-7,12-13H2,(H2,23,24)(H,26,31)
InChIKeyBAZJOBLYOILXCF-UHFFFAOYSA-N
XLogP1.97
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide (CID 129103579) is N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide is Nc1nccc2c1C(NC(=O)c1cn(Cc3ccc(Cn4cccn4)cc3)nn1)CC2.
What is the InChIKey of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is BAZJOBLYOILXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c23-21-20-17(8-10-24-21)6-7-18(20)26-22(31)19-14-30(28-27-19)13-16-4-2-15(3-5-16)12-29-11-1-9-25-29/h1-5,8-11,14,18H,6-7,12-13H2,(H2,23,24)(H,26,31).
What are the key properties of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide?
N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 129103579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).