1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C18H16N6O — CID 133272544

IUPAC1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(Nc2cnn(CCO)c2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C18H16N6O/c1-12-8-17(21-13-10-20-23(11-13)6-7-25)24-16-5-3-2-4-15(16)22-18(24)14(12)9-19/h2-5,8,10-11,21,25H,6-7H2,1H3
InChIKeyOUMNPNLIUMKCPY-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.60
Rot. Bonds4

About 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 133272544) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID133272544
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(Nc2cnn(CCO)c2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C18H16N6O/c1-12-8-17(21-13-10-20-23(11-13)6-7-25)24-16-5-3-2-4-15(16)22-18(24)14(12)9-19/h2-5,8,10-11,21,25H,6-7H2,1H3
InChIKeyOUMNPNLIUMKCPY-UHFFFAOYSA-N
XLogP2.60
TPSA91.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 133272544) is 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(Nc2cnn(CCO)c2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is OUMNPNLIUMKCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-8-17(21-13-10-20-23(11-13)6-7-25)24-16-5-3-2-4-15(16)22-18(24)14(12)9-19/h2-5,8,10-11,21,25H,6-7H2,1H3.
What are the key properties of 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 332.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 133272544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).