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

C19H17N7 — CID 164912409

IUPAC6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1cccc(-c2nc(C(C)N)cn2-c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C19H17N7/c1-12-4-3-5-16(23-12)19-24-17(13(2)21)11-26(19)14-6-7-18-22-9-15(8-20)25(18)10-14/h3-7,9-11,13H,21H2,1-2H3
InChIKeyHUHOUUPTBFSIJR-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.78
Rot. Bonds3

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

6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 164912409) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is 6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID164912409
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1cccc(-c2nc(C(C)N)cn2-c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C19H17N7/c1-12-4-3-5-16(23-12)19-24-17(13(2)21)11-26(19)14-6-7-18-22-9-15(8-20)25(18)10-14/h3-7,9-11,13H,21H2,1-2H3
InChIKeyHUHOUUPTBFSIJR-UHFFFAOYSA-N
XLogP2.78
TPSA97.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 164912409) is 6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile is Cc1cccc(-c2nc(C(C)N)cn2-c2ccc3ncc(C#N)n3c2)n1.
What is the InChIKey of 6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is HUHOUUPTBFSIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7/c1-12-4-3-5-16(23-12)19-24-17(13(2)21)11-26(19)14-6-7-18-22-9-15(8-20)25(18)10-14/h3-7,9-11,13H,21H2,1-2H3.
What are the key properties of 6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164912409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).