2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine

C19H22N4 — CID 117165386

IUPAC2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc(Cc2nc3cccnc3n2C2CCN(C)C2)cc1
InChIInChI=1S/C19H22N4/c1-14-5-7-15(8-6-14)12-18-21-17-4-3-10-20-19(17)23(18)16-9-11-22(2)13-16/h3-8,10,16H,9,11-13H2,1-2H3
InChIKeyWLIUZHQCINZXFD-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.21
Rot. Bonds3

About 2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine

2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117165386) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
PubChem CID117165386
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc(Cc2nc3cccnc3n2C2CCN(C)C2)cc1
InChIInChI=1S/C19H22N4/c1-14-5-7-15(8-6-14)12-18-21-17-4-3-10-20-19(17)23(18)16-9-11-22(2)13-16/h3-8,10,16H,9,11-13H2,1-2H3
InChIKeyWLIUZHQCINZXFD-UHFFFAOYSA-N
XLogP3.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53017611
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163191
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117165419
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165535
3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164168
3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165622
2-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117159854
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161554
4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165404
3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163215

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine (CID 117165386) is 2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine is Cc1ccc(Cc2nc3cccnc3n2C2CCN(C)C2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is WLIUZHQCINZXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-5-7-15(8-6-14)12-18-21-17-4-3-10-20-19(17)23(18)16-9-11-22(2)13-16/h3-8,10,16H,9,11-13H2,1-2H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 306.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).