6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C13H15ClN4O2 — CID 156544967

IUPAC6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2cc(N3CC(CO)(CCl)C3)ccc12
InChIInChI=1S/C13H15ClN4O2/c14-5-13(8-19)6-17(7-13)9-1-2-11-10(12(15)20)3-16-18(11)4-9/h1-4,19H,5-8H2,(H2,15,20)
InChIKeyCUKHEECZMKYIIU-UHFFFAOYSA-N
MW294.74 g/mol
LogP0.47
Rot. Bonds4

About 6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 156544967) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID156544967
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2cc(N3CC(CO)(CCl)C3)ccc12
InChIInChI=1S/C13H15ClN4O2/c14-5-13(8-19)6-17(7-13)9-1-2-11-10(12(15)20)3-16-18(11)4-9/h1-4,19H,5-8H2,(H2,15,20)
InChIKeyCUKHEECZMKYIIU-UHFFFAOYSA-N
XLogP0.47
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 134286614
6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 141364751
1-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 166773600
1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 134286617
methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 146558753
1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide
CID 39869839
6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914624
6-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680674
6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 130229153
1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one
CID 137413503
4-amino-6-(hydrazinecarbonyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 122692069
1-(4-carbamoylphenyl)-5-ethylpyrazole-4-carboxylic acid
CID 82361138

Frequently Asked Questions

What is the IUPAC name of 6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 156544967) is 6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is NC(=O)c1cnn2cc(N3CC(CO)(CCl)C3)ccc12.
What is the InChIKey of 6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CUKHEECZMKYIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c14-5-13(8-19)6-17(7-13)9-1-2-11-10(12(15)20)3-16-18(11)4-9/h1-4,19H,5-8H2,(H2,15,20).
What are the key properties of 6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(chloromethyl)-3-(hydroxymethyl)azetidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 156544967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).