(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone

C19H22N6O — CID 166256791

IUPAC(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCCc1nc2nccc(C(=O)N3CCN(c4ccncc4)CC3C)c2[nH]1
InChIInChI=1S/C19H22N6O/c1-3-16-22-17-15(6-9-21-18(17)23-16)19(26)25-11-10-24(12-13(25)2)14-4-7-20-8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,21,22,23)
InChIKeyLMTQYZIDDOLERL-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.27
Rot. Bonds3

About (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone

(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 166256791) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID166256791
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCCc1nc2nccc(C(=O)N3CCN(c4ccncc4)CC3C)c2[nH]1
InChIInChI=1S/C19H22N6O/c1-3-16-22-17-15(6-9-21-18(17)23-16)19(26)25-11-10-24(12-13(25)2)14-4-7-20-8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,21,22,23)
InChIKeyLMTQYZIDDOLERL-UHFFFAOYSA-N
XLogP2.27
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone (CID 166256791) is (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone is CCc1nc2nccc(C(=O)N3CCN(c4ccncc4)CC3C)c2[nH]1.
What is the InChIKey of (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is LMTQYZIDDOLERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-16-22-17-15(6-9-21-18(17)23-16)19(26)25-11-10-24(12-13(25)2)14-4-7-20-8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,21,22,23).
What are the key properties of (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone?
(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 350.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 166256791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).