pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone

C16H16N6O — CID 120729387

IUPACpyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnn2cccnc12)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H16N6O/c23-16(13-10-20-22-7-2-5-19-15(13)22)21-8-6-18-11-14(21)12-3-1-4-17-9-12/h1-5,7,9-10,14,18H,6,8,11H2
InChIKeyLVPCTCUWSDEUSV-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.91
Rot. Bonds2

About pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone

pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120729387) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120729387
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Namepyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnn2cccnc12)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H16N6O/c23-16(13-10-20-22-7-2-5-19-15(13)22)21-8-6-18-11-14(21)12-3-1-4-17-9-12/h1-5,7,9-10,14,18H,6,8,11H2
InChIKeyLVPCTCUWSDEUSV-UHFFFAOYSA-N
XLogP0.91
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732345
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731327
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731790
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120729387) is pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone is O=C(c1cnn2cccnc12)N1CCNCC1c1cccnc1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is LVPCTCUWSDEUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(13-10-20-22-7-2-5-19-15(13)22)21-8-6-18-11-14(21)12-3-1-4-17-9-12/h1-5,7,9-10,14,18H,6,8,11H2.
What are the key properties of pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone?
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 308.34 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120729387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).