6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile

C20H15N5O — CID 122478492

IUPAC6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1cccc(-c2nccc(CO)c2-c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C20H15N5O/c1-13-3-2-4-17(24-13)20-19(15(12-26)7-8-22-20)14-5-6-18-23-10-16(9-21)25(18)11-14/h2-8,10-11,26H,12H2,1H3
InChIKeyRSZIJRFZWKINKF-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.13
Rot. Bonds3

About 6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile

6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 122478492) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID122478492
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1cccc(-c2nccc(CO)c2-c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C20H15N5O/c1-13-3-2-4-17(24-13)20-19(15(12-26)7-8-22-20)14-5-6-18-23-10-16(9-21)25(18)11-14/h2-8,10-11,26H,12H2,1H3
InChIKeyRSZIJRFZWKINKF-UHFFFAOYSA-N
XLogP3.13
TPSA87.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 122478492) is 6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is Cc1cccc(-c2nccc(CO)c2-c2ccc3ncc(C#N)n3c2)n1.
What is the InChIKey of 6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is RSZIJRFZWKINKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-13-3-2-4-17(24-13)20-19(15(12-26)7-8-22-20)14-5-6-18-23-10-16(9-21)25(18)11-14/h2-8,10-11,26H,12H2,1H3.
What are the key properties of 6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 122478492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).