4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C14H16BrN3O2 — CID 167928022

IUPAC4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC[C@H]1CCC[C@@H]1O)c1cnn2cccc(Br)c12
InChIInChI=1S/C14H16BrN3O2/c15-11-4-2-6-18-13(11)10(8-17-18)14(20)16-7-9-3-1-5-12(9)19/h2,4,6,8-9,12,19H,1,3,5,7H2,(H,16,20)/t9-,12+/m1/s1
InChIKeyQIBFGBVFWHJFCK-SKDRFNHKSA-N
MW338.21 g/mol
LogP1.99
Rot. Bonds3

About 4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 167928022) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID167928022
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC[C@H]1CCC[C@@H]1O)c1cnn2cccc(Br)c12
InChIInChI=1S/C14H16BrN3O2/c15-11-4-2-6-18-13(11)10(8-17-18)14(20)16-7-9-3-1-5-12(9)19/h2,4,6,8-9,12,19H,1,3,5,7H2,(H,16,20)/t9-,12+/m1/s1
InChIKeyQIBFGBVFWHJFCK-SKDRFNHKSA-N
XLogP1.99
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 99779011
N-[[2-(chloromethyl)cyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122654
5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide
CID 103727506
4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166358779
N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136697105
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071
1-cyclopentyl-N-[(2-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 110007316
6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 113351463
6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 115283344
2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 106993969
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 120947622
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone
CID 138011959

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 167928022) is 4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NC[C@H]1CCC[C@@H]1O)c1cnn2cccc(Br)c12.
What is the InChIKey of 4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is QIBFGBVFWHJFCK-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c15-11-4-2-6-18-13(11)10(8-17-18)14(20)16-7-9-3-1-5-12(9)19/h2,4,6,8-9,12,19H,1,3,5,7H2,(H,16,20)/t9-,12+/m1/s1.
What are the key properties of 4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 167928022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).