5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

C32H29FN4O3 — CID 90948163

IUPAC5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ncc(C3=C(C)CC(C)C(C(=O)NC4(c5ccccn5)CC4)=C3)cc12
InChIInChI=1S/C32H29FN4O3/c1-18-14-19(2)24(29(38)37-32(11-12-32)26-6-4-5-13-35-26)16-23(18)21-15-25-27(30(39)34-3)28(40-31(25)36-17-21)20-7-9-22(33)10-8-20/h4-10,13,15-17,19H,11-12,14H2,1-3H3,(H,34,39)(H,37,38)
InChIKeyXGUHQQHCYPSMQH-UHFFFAOYSA-N
MW536.61 g/mol
LogP5.93
Rot. Bonds6

About 5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 90948163) has the molecular formula C32H29FN4O3 and a molecular weight of 536.61 g/mol. Its IUPAC name is 5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
PubChem CID90948163
Molecular FormulaC32H29FN4O3
Molecular Weight536.61 g/mol
Exact Mass536.22
IUPAC Name5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ncc(C3=C(C)CC(C)C(C(=O)NC4(c5ccccn5)CC4)=C3)cc12
InChIInChI=1S/C32H29FN4O3/c1-18-14-19(2)24(29(38)37-32(11-12-32)26-6-4-5-13-35-26)16-23(18)21-15-25-27(30(39)34-3)28(40-31(25)36-17-21)20-7-9-22(33)10-8-20/h4-10,13,15-17,19H,11-12,14H2,1-3H3,(H,34,39)(H,37,38)
InChIKeyXGUHQQHCYPSMQH-UHFFFAOYSA-N
XLogP5.93
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.61
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

2,3-Diphenyl-N-(2-piperazin-1-ylethyl)furo(2,3-B)pyridin-4-amine
CID 11553058
[7-Benzyl-2-(5-Fluoro-2-Methylphenoxy)-1-Phenyl-1h-Pyrrolo[2,3-C]pyridin-3-Yl](Piperazin-1-Yl)methanone
CID 53346499
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-4-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275494
5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 85470079
2-(pyridin-4-yl)-4H,5H,6H,7H-furo[3,2-c]pyridin-4-one
CID 24778303
Benzofuran-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606573
[2-(5-Fluoro-2-methyl-phenoxy)-1-phenyl-1H-pyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-yl-methanone
CID 44158906
N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)benzofuran-3-carboxamide
CID 44251240
[2-(5-Fluoro-2-methyl-phenoxy)-6-methoxy-1-phenyl-1H-pyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-yl-methanone
CID 56665265
4-(3-Fluorophenyl)spiro[17-oxa-5,13-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 56669834
[7-Ethyl-2-(5-fluoro-2-methyl-phenoxy)-1-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl]-piperazin-1-yl-methanone
CID 56671819
5-(3-(tert-butylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 59233666

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (CID 90948163) is 5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ncc(C3=C(C)CC(C)C(C(=O)NC4(c5ccccn5)CC4)=C3)cc12.
What is the InChIKey of 5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is XGUHQQHCYPSMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN4O3/c1-18-14-19(2)24(29(38)37-32(11-12-32)26-6-4-5-13-35-26)16-23(18)21-15-25-27(30(39)34-3)28(40-31(25)36-17-21)20-7-9-22(33)10-8-20/h4-10,13,15-17,19H,11-12,14H2,1-3H3,(H,34,39)(H,37,38).
What are the key properties of 5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 536.61 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-dimethyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 90948163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).