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

C13H17ClN4O — CID 119631215

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)c1cnn2ccccc12
InChIInChI=1S/C13H16N4O.ClH/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,3-4,6,8,14H2;1H
InChIKeyLRJBAFADFQTOAB-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.32
Rot. Bonds2

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

[2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride (PubChem CID 119631215) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
PubChem CID119631215
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)c1cnn2ccccc12
InChIInChI=1S/C13H16N4O.ClH/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,3-4,6,8,14H2;1H
InChIKeyLRJBAFADFQTOAB-UHFFFAOYSA-N
XLogP1.32
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103122402
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103352408
[2-(aminomethyl)-6-methylpiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120796
5-methyl-N-[[(2R)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 166402399
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
3-methyl-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103117258
[(3S)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 107224385
[2-(aminomethyl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119467896
[2-(2-hydroxypropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120401
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride (CID 119631215) is [2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride is Cl.NCC1CCCN1C(=O)c1cnn2ccccc12.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride?
The InChIKey is LRJBAFADFQTOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/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,3-4,6,8,14H2;1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119631215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).