N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide

C16H17ClN6O2 — CID 146110061

IUPACN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O)c1ccn2nncc2c1
InChIInChI=1S/C16H17ClN6O2/c17-12-6-19-22(9-12)8-10-3-14(15(24)4-10)20-16(25)11-1-2-23-13(5-11)7-18-21-23/h1-2,5-7,9-10,14-15,24H,3-4,8H2,(H,20,25)/t10?,14-,15-/m1/s1
InChIKeyDWMFVJFRFFOXGK-VRFXOJNMSA-N
MW360.81 g/mol
LogP1.15
Rot. Bonds4

About N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide

N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 146110061) has the molecular formula C16H17ClN6O2 and a molecular weight of 360.81 g/mol. Its IUPAC name is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide
PubChem CID146110061
Molecular FormulaC16H17ClN6O2
Molecular Weight360.81 g/mol
Exact Mass360.11
IUPAC NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O)c1ccn2nncc2c1
InChIInChI=1S/C16H17ClN6O2/c17-12-6-19-22(9-12)8-10-3-14(15(24)4-10)20-16(25)11-1-2-23-13(5-11)7-18-21-23/h1-2,5-7,9-10,14-15,24H,3-4,8H2,(H,20,25)/t10?,14-,15-/m1/s1
InChIKeyDWMFVJFRFFOXGK-VRFXOJNMSA-N
XLogP1.15
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide (CID 146110061) is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide is O=C(N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O)c1ccn2nncc2c1.
What is the InChIKey of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is DWMFVJFRFFOXGK-VRFXOJNMSA-N. The full InChI is InChI=1S/C16H17ClN6O2/c17-12-6-19-22(9-12)8-10-3-14(15(24)4-10)20-16(25)11-1-2-23-13(5-11)7-18-21-23/h1-2,5-7,9-10,14-15,24H,3-4,8H2,(H,20,25)/t10?,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide?
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 360.81 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 146110061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).