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

C20H17F2N5 — CID 20812062

IUPAC3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESFc1ccc(F)c(-c2nccn2Cc2nc3cccnc3n2CC2CC2)c1
InChIInChI=1S/C20H17F2N5/c21-14-5-6-16(22)15(10-14)19-24-8-9-26(19)12-18-25-17-2-1-7-23-20(17)27(18)11-13-3-4-13/h1-2,5-10,13H,3-4,11-12H2
InChIKeyPLCWLYVEJPFBNL-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.03
Rot. Bonds5

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

3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 20812062) has the molecular formula C20H17F2N5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID20812062
Molecular FormulaC20H17F2N5
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESFc1ccc(F)c(-c2nccn2Cc2nc3cccnc3n2CC2CC2)c1
InChIInChI=1S/C20H17F2N5/c21-14-5-6-16(22)15(10-14)19-24-8-9-26(19)12-18-25-17-2-1-7-23-20(17)27(18)11-13-3-4-13/h1-2,5-10,13H,3-4,11-12H2
InChIKeyPLCWLYVEJPFBNL-UHFFFAOYSA-N
XLogP4.03
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)-4-methylimidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 22379858
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine
CID 22379933
2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-3-(2-fluoroethyl)imidazo[4,5-b]pyridine
CID 20812108
2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine
CID 22380244
3-ethyl-2-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 22380033
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid
CID 22380327
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile
CID 22379972
2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
CID 20812124
2-(2-methoxyethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117159839
1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
CID 22379969
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine (CID 20812062) is 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine is Fc1ccc(F)c(-c2nccn2Cc2nc3cccnc3n2CC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is PLCWLYVEJPFBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5/c21-14-5-6-16(22)15(10-14)19-24-8-9-26(19)12-18-25-17-2-1-7-23-20(17)27(18)11-13-3-4-13/h1-2,5-10,13H,3-4,11-12H2.
What are the key properties of 3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
3-(cyclopropylmethyl)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 365.39 g/mol, XLogP of 4.03, 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)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 20812062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).