6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide

C27H21FN6O2 — CID 169231227

About 6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide

6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide (PubChem CID 169231227) has the molecular formula C27H21FN6O2 and a molecular weight of 480.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide
• PubChem CID: 169231227
• Molecular Formula: C27H21FN6O2
• Molecular Weight: 480.50 g/mol
• Exact Mass: 480.17
• IUPAC Name: 6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide
• SMILES: COc1cc2ncnc(-c3cn[nH]c3-c3ccccc3F)c2cc1NC(=O)c1ccc(C2CC2)nc1
• InChI: InChI=1S/C27H21FN6O2/c1-36-24-11-22-18(10-23(24)33-27(35)16-8-9-21(29-12-16)15-6-7-15)25(31-14-30-22)19-13-32-34-26(19)17-4-2-3-5-20(17)28/h2-5,8-15H,6-7H2,1H3,(H,32,34)(H,33,35)
• InChIKey: XENUQNVMXFJFMP-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 105.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.50
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide (CID 169231227) is 6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide is COc1cc2ncnc(-c3cn[nH]c3-c3ccccc3F)c2cc1NC(=O)c1ccc(C2CC2)nc1.

What is the InChIKey of 6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide?

The InChIKey is XENUQNVMXFJFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O2/c1-36-24-11-22-18(10-23(24)33-27(35)16-8-9-21(29-12-16)15-6-7-15)25(31-14-30-22)19-13-32-34-26(19)17-4-2-3-5-20(17)28/h2-5,8-15H,6-7H2,1H3,(H,32,34)(H,33,35).

What are the key properties of 6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide?

6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 169231227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).