2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C31H30FN5O2 — CID 70909685

IUPAC2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(C2=CC=C(F)CC2)nc2ccc(-c3ccc(-c4cccnc4)c(C(=O)NCC(C)C)c3)cn12
InChIInChI=1S/C31H30FN5O2/c1-19(2)16-35-30(38)26-15-21(8-12-25(26)22-5-4-14-34-17-22)23-9-13-27-36-28(20-6-10-24(32)11-7-20)29(31(39)33-3)37(27)18-23/h4-6,8-10,12-15,17-19H,7,11,16H2,1-3H3,(H,33,39)(H,35,38)
InChIKeyXFLGIGWGLXKVOC-UHFFFAOYSA-N
MW523.61 g/mol
LogP5.84
Rot. Bonds7

About 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 70909685) has the molecular formula C31H30FN5O2 and a molecular weight of 523.61 g/mol. Its IUPAC name is 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID70909685
Molecular FormulaC31H30FN5O2
Molecular Weight523.61 g/mol
Exact Mass523.24
IUPAC Name2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(C2=CC=C(F)CC2)nc2ccc(-c3ccc(-c4cccnc4)c(C(=O)NCC(C)C)c3)cn12
InChIInChI=1S/C31H30FN5O2/c1-19(2)16-35-30(38)26-15-21(8-12-25(26)22-5-4-14-34-17-22)23-9-13-27-36-28(20-6-10-24(32)11-7-20)29(31(39)33-3)37(27)18-23/h4-6,8-10,12-15,17-19H,7,11,16H2,1-3H3,(H,33,39)(H,35,38)
InChIKeyXFLGIGWGLXKVOC-UHFFFAOYSA-N
XLogP5.84
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.61
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-methyl-5-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]-1-benzofuran-3-carboxamide
CID 59275348
N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide
CID 91363537
6-(3-fluorophenyl)-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876493
5-[4-[3-(cyanomethyl)phenyl]-3-(2-methylpropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275576
N-(2-methylpropyl)-1,6-naphthyridine-8-carboxamide
CID 91949075
N-(2-hydroxypropyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84556352
2-(4-fluorophenyl)-5-[[3-(2-methylpropylcarbamoyl)-4-pyrimidin-5-ylphenyl]methyl]-1-benzofuran-3-carboxamide
CID 91145313
2-[(5-fluoro-2-methylbenzoyl)amino]-6-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 155541431
5-[4-(2-acetamidophenyl)-3-(2-methylpropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275397
2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 91559223
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 70909685) is 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is CNC(=O)c1c(C2=CC=C(F)CC2)nc2ccc(-c3ccc(-c4cccnc4)c(C(=O)NCC(C)C)c3)cn12.
What is the InChIKey of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XFLGIGWGLXKVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN5O2/c1-19(2)16-35-30(38)26-15-21(8-12-25(26)22-5-4-14-34-17-22)23-9-13-27-36-28(20-6-10-24(32)11-7-20)29(31(39)33-3)37(27)18-23/h4-6,8-10,12-15,17-19H,7,11,16H2,1-3H3,(H,33,39)(H,35,38).
What are the key properties of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 523.61 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 70909685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).