2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine

C15H17N5 — CID 150784764

IUPAC2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ncccn1
InChIInChI=1S/C15H17N5/c1-4-13-19-14-10(2)8-11(3)18-15(14)20(13)9-12-16-6-5-7-17-12/h5-8H,4,9H2,1-3H3
InChIKeyKCPSCFUQCKSARO-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.45
Rot. Bonds3

About 2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine

2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 150784764) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID150784764
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ncccn1
InChIInChI=1S/C15H17N5/c1-4-13-19-14-10(2)8-11(3)18-15(14)20(13)9-12-16-6-5-7-17-12/h5-8H,4,9H2,1-3H3
InChIKeyKCPSCFUQCKSARO-UHFFFAOYSA-N
XLogP2.45
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
CID 138744418
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
CID 23156166
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline
CID 19385717
N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine
CID 86615033
2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 142021136
(Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine
CID 143289376
5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide
CID 54442569
2-bromo-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenylpropanoic acid
CID 10624963
2-(2-carboxyphenyl)-6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinoline-4-carboxylic acid
CID 22370563
ethyl 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-pyridin-4-ylpropanoate
CID 10599334
3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-5,6-dihydrobenzo[b][1]benzazepine-11-carbaldehyde
CID 18998684
methyl 2-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]methyl]benzoate
CID 67793519

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 150784764) is 2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ncccn1.
What is the InChIKey of 2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is KCPSCFUQCKSARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-4-13-19-14-10(2)8-11(3)18-15(14)20(13)9-12-16-6-5-7-17-12/h5-8H,4,9H2,1-3H3.
What are the key properties of 2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine?
2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 267.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 150784764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).