[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C13H14ClN3O — CID 103122402

IUPAC[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCCC1CCl
InChIInChI=1S/C13H14ClN3O/c14-8-10-4-3-6-16(10)13(18)11-9-15-17-7-2-1-5-12(11)17/h1-2,5,7,9-10H,3-4,6,8H2
InChIKeyYBBDOXXOPYWZBJ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.18
Rot. Bonds2

About [2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 103122402) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is [2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID103122402
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCCC1CCl
InChIInChI=1S/C13H14ClN3O/c14-8-10-4-3-6-16(10)13(18)11-9-15-17-7-2-1-5-12(11)17/h1-2,5,7,9-10H,3-4,6,8H2
InChIKeyYBBDOXXOPYWZBJ-UHFFFAOYSA-N
XLogP2.18
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119631215
5-methyl-N-[[(2R)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 166402399
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103352408
[(3S)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 107224385
3-methyl-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103117258
[2-(aminomethyl)-6-methylpiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120796
2-cyclopentyl-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 71797849
[2-(2-hydroxypropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120401
[(2R,3S,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 56871904
(2-bromophenyl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 116639241
3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116447
[2-(bromomethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103122459

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 103122402) is [2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is O=C(c1cnn2ccccc12)N1CCCC1CCl.
What is the InChIKey of [2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is YBBDOXXOPYWZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-8-10-4-3-6-16(10)13(18)11-9-15-17-7-2-1-5-12(11)17/h1-2,5,7,9-10H,3-4,6,8H2.
What are the key properties of [2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 263.73 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 103122402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).