3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine

C21H19F2N5 — CID 22379858

IUPAC3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCc1cn(Cc2nc3cccnc3n2CC2CC2)c(-c2cc(F)ccc2F)n1
InChIInChI=1S/C21H19F2N5/c1-13-10-27(20(25-13)16-9-15(22)6-7-17(16)23)12-19-26-18-3-2-8-24-21(18)28(19)11-14-4-5-14/h2-3,6-10,14H,4-5,11-12H2,1H3
InChIKeyXIZILCFTTXJJSF-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.34
Rot. Bonds5

About 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine

3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 22379858) has the molecular formula C21H19F2N5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID22379858
Molecular FormulaC21H19F2N5
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC Name3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCc1cn(Cc2nc3cccnc3n2CC2CC2)c(-c2cc(F)ccc2F)n1
InChIInChI=1S/C21H19F2N5/c1-13-10-27(20(25-13)16-9-15(22)6-7-17(16)23)12-19-26-18-3-2-8-24-21(18)28(19)11-14-4-5-14/h2-3,6-10,14H,4-5,11-12H2,1H3
InChIKeyXIZILCFTTXJJSF-UHFFFAOYSA-N
XLogP4.34
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812062
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165662
2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165668
2-bromo-4-(cyclopropylmethyl)pyrido[2,3-b]pyrazin-3-one;4-(cyclopropylmethyl)-2-(4-fluoro-2-methylphenyl)pyrido[2,3-b]pyrazin-3-one;(4-fluoro-2-methylphenyl)boronic acid
CID 159353378
2-(2-methoxyethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117159839
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide
CID 18734576
N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,2-dimethylbenzamide
CID 18734184
2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine
CID 22379933
3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161542
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-fluorophenol
CID 136789710

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine (CID 22379858) is 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine is Cc1cn(Cc2nc3cccnc3n2CC2CC2)c(-c2cc(F)ccc2F)n1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is XIZILCFTTXJJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5/c1-13-10-27(20(25-13)16-9-15(22)6-7-17(16)23)12-19-26-18-3-2-8-24-21(18)28(19)11-14-4-5-14/h2-3,6-10,14H,4-5,11-12H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 379.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 22379858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).