N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide

C26H22ClFN6O3 — CID 10289404

About N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide

N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide (PubChem CID 10289404) has the molecular formula C26H22ClFN6O3 and a molecular weight of 520.95 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
• PubChem CID: 10289404
• Molecular Formula: C26H22ClFN6O3
• Molecular Weight: 520.95 g/mol
• Exact Mass: 520.14
• IUPAC Name: N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
• SMILES: Cc1nc(-c2ccc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)c4cncnc4)CC3)c(F)c2)no1
• InChI: InChI=1S/C26H22ClFN6O3/c1-14(31-25(36)26(7-8-26)33-24(35)17-11-29-13-30-12-17)19-5-3-16(9-22(19)28)21-10-18(27)4-6-20(21)23-32-15(2)37-34-23/h3-6,9-14H,7-8H2,1-2H3,(H,31,36)(H,33,35)/t14-/m1/s1
• InChIKey: PNKPKQSQBGJKRP-CQSZACIVSA-N
• XLogP: 4.43
• TPSA: 122.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.95
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?

The IUPAC name of N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide (CID 10289404) is N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?

The canonical SMILES for N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)c4cncnc4)CC3)c(F)c2)no1.

What is the InChIKey of N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?

The InChIKey is PNKPKQSQBGJKRP-CQSZACIVSA-N. The full InChI is InChI=1S/C26H22ClFN6O3/c1-14(31-25(36)26(7-8-26)33-24(35)17-11-29-13-30-12-17)19-5-3-16(9-22(19)28)21-10-18(27)4-6-20(21)23-32-15(2)37-34-23/h3-6,9-14H,7-8H2,1-2H3,(H,31,36)(H,33,35)/t14-/m1/s1.

What are the key properties of N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?

N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide has a molecular weight of 520.95 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 10289404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).