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

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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).