5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

C30H24FN5O3 — CID 67217879

IUPAC5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3cc(C(=O)N(c4ncccn4)C4CC4)ccc3C)cc12
InChIInChI=1S/C30H24FN5O3/c1-17-4-5-19(29(38)36(22-10-11-22)30-33-12-3-13-34-30)14-23(17)20-15-24-25(27(37)32-2)26(39-28(24)35-16-20)18-6-8-21(31)9-7-18/h3-9,12-16,22H,10-11H2,1-2H3,(H,32,37)
InChIKeyRSMXDBWZQUXJKH-UHFFFAOYSA-N
MW521.55 g/mol
LogP5.57
Rot. Bonds6

About 5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 67217879) has the molecular formula C30H24FN5O3 and a molecular weight of 521.55 g/mol. Its IUPAC name is 5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
PubChem CID67217879
Molecular FormulaC30H24FN5O3
Molecular Weight521.55 g/mol
Exact Mass521.19
IUPAC Name5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3cc(C(=O)N(c4ncccn4)C4CC4)ccc3C)cc12
InChIInChI=1S/C30H24FN5O3/c1-17-4-5-19(29(38)36(22-10-11-22)30-33-12-3-13-34-30)14-23(17)20-15-24-25(27(37)32-2)26(39-28(24)35-16-20)18-6-8-21(31)9-7-18/h3-9,12-16,22H,10-11H2,1-2H3,(H,32,37)
InChIKeyRSMXDBWZQUXJKH-UHFFFAOYSA-N
XLogP5.57
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.55
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (CID 67217879) is 5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3cc(C(=O)N(c4ncccn4)C4CC4)ccc3C)cc12.
What is the InChIKey of 5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is RSMXDBWZQUXJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN5O3/c1-17-4-5-19(29(38)36(22-10-11-22)30-33-12-3-13-34-30)14-23(17)20-15-24-25(27(37)32-2)26(39-28(24)35-16-20)18-6-8-21(31)9-7-18/h3-9,12-16,22H,10-11H2,1-2H3,(H,32,37).
What are the key properties of 5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 521.55 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 67217879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).