7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine

C23H22N4O2 — CID 131717247

IUPAC7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C23H22N4O2/c1-3-6-21-25-22-16(2)13-14-24-23(22)26(21)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)27(28)29/h4-5,7-14H,3,6,15H2,1-2H3
InChIKeyXPSVCVHOVQHHJO-UHFFFAOYSA-N
MW386.46 g/mol
LogP5.32
Rot. Bonds6

About 7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine

7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine (PubChem CID 131717247) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine
PubChem CID131717247
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C23H22N4O2/c1-3-6-21-25-22-16(2)13-14-24-23(22)26(21)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)27(28)29/h4-5,7-14H,3,6,15H2,1-2H3
InChIKeyXPSVCVHOVQHHJO-UHFFFAOYSA-N
XLogP5.32
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine
CID 23156205
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
7-(4-methylphenyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154422744
2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile
CID 19759460
3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
CID 19759296
2-(2-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid
CID 10049400
2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 19349843
3-[(4-bromophenyl)methyl]-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276187
2-[3-bromo-7-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid
CID 139644509
2-(3-chlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid
CID 15287885
3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid
CID 67792278

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine?
The IUPAC name of 7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine (CID 131717247) is 7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine.
What is the SMILES notation for 7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine is CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine?
The InChIKey is XPSVCVHOVQHHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-3-6-21-25-22-16(2)13-14-24-23(22)26(21)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)27(28)29/h4-5,7-14H,3,6,15H2,1-2H3.
What are the key properties of 7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine?
7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine has a molecular weight of 386.46 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 131717247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).