1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride

C13H17ClN4O — CID 119414481

IUPAC1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride
SMILESCl.O=C(c1cnn2ccccc12)N1CCCNCC1
InChIInChI=1S/C13H16N4O.ClH/c18-13(16-7-3-5-14-6-9-16)11-10-15-17-8-2-1-4-12(11)17;/h1-2,4,8,10,14H,3,5-7,9H2;1H
InChIKeyNSIBUQHRNZFYAD-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.19
Rot. Bonds1

About 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride

1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride (PubChem CID 119414481) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride
PubChem CID119414481
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride
SMILESCl.O=C(c1cnn2ccccc12)N1CCCNCC1
InChIInChI=1S/C13H16N4O.ClH/c18-13(16-7-3-5-14-6-9-16)11-10-15-17-8-2-1-4-12(11)17;/h1-2,4,8,10,14H,3,5-7,9H2;1H
InChIKeyNSIBUQHRNZFYAD-UHFFFAOYSA-N
XLogP1.19
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103115712
1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-one
CID 103118159
[(3S)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 107224385
(2-methylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119470274
(4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 20875663
2-cyclopentyl-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 71797849
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
3-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135965959
[3-(methylamino)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119413658
(3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103726815
(2-bromophenyl)-(1,4-diazepan-1-yl)methanone
CID 16771837
pyrazolo[1,5-a]pyridin-3-yl-[2-(2H-tetrazol-5-yl)-6-azaspiro[2.5]octan-6-yl]methanone
CID 166313550

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride?
The IUPAC name of 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride (CID 119414481) is 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride.
What is the SMILES notation for 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride?
The canonical SMILES for 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride is Cl.O=C(c1cnn2ccccc12)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride?
The InChIKey is NSIBUQHRNZFYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/c18-13(16-7-3-5-14-6-9-16)11-10-15-17-8-2-1-4-12(11)17;/h1-2,4,8,10,14H,3,5-7,9H2;1H.
What are the key properties of 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride?
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119414481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).