2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide

C30H23FN4O3 — CID 59233798

IUPAC2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NC4(c5ccccn5)CC4)c3)nc12
InChIInChI=1S/C30H23FN4O3/c1-32-29(37)25-26-23(38-27(25)18-8-10-21(31)11-9-18)13-12-22(34-26)19-5-4-6-20(17-19)28(36)35-30(14-15-30)24-7-2-3-16-33-24/h2-13,16-17H,14-15H2,1H3,(H,32,37)(H,35,36)
InChIKeyUTAPYZPMAQMRNU-UHFFFAOYSA-N
MW506.54 g/mol
LogP5.47
Rot. Bonds6

About 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide (PubChem CID 59233798) has the molecular formula C30H23FN4O3 and a molecular weight of 506.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide
PubChem CID59233798
Molecular FormulaC30H23FN4O3
Molecular Weight506.54 g/mol
Exact Mass506.18
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NC4(c5ccccn5)CC4)c3)nc12
InChIInChI=1S/C30H23FN4O3/c1-32-29(37)25-26-23(38-27(25)18-8-10-21(31)11-9-18)13-12-22(34-26)19-5-4-6-20(17-19)28(36)35-30(14-15-30)24-7-2-3-16-33-24/h2-13,16-17H,14-15H2,1H3,(H,32,37)(H,35,36)
InChIKeyUTAPYZPMAQMRNU-UHFFFAOYSA-N
XLogP5.47
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.54
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide (CID 59233798) is 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NC4(c5ccccn5)CC4)c3)nc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide?
The InChIKey is UTAPYZPMAQMRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN4O3/c1-32-29(37)25-26-23(38-27(25)18-8-10-21(31)11-9-18)13-12-22(34-26)19-5-4-6-20(17-19)28(36)35-30(14-15-30)24-7-2-3-16-33-24/h2-13,16-17H,14-15H2,1H3,(H,32,37)(H,35,36).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide has a molecular weight of 506.54 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 59233798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).