N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide

C27H22ClFN6O3 — CID 72661407

About N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide

N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide (PubChem CID 72661407) has the molecular formula C27H22ClFN6O3 and a molecular weight of 532.96 g/mol. Its IUPAC name is N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
• PubChem CID: 72661407
• Molecular Formula: C27H22ClFN6O3
• Molecular Weight: 532.96 g/mol
• Exact Mass: 532.14
• IUPAC Name: N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
• SMILES: Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CCC3NC(=O)C2(NC(=O)c3cncnc3)CC2)no1
• InChI: InChI=1S/C27H22ClFN6O3/c1-14-32-24(35-38-14)23-20(9-18(28)10-21(23)29)16-2-4-19-15(8-16)3-5-22(19)33-26(37)27(6-7-27)34-25(36)17-11-30-13-31-12-17/h2,4,8-13,22H,3,5-7H2,1H3,(H,33,37)(H,34,36)
• InChIKey: PAUIXIOLYSEIEG-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 122.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.96
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide (CID 72661407) is N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide.

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

The canonical SMILES for N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide is Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CCC3NC(=O)C2(NC(=O)c3cncnc3)CC2)no1.

What is the InChIKey of N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?

The InChIKey is PAUIXIOLYSEIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN6O3/c1-14-32-24(35-38-14)23-20(9-18(28)10-21(23)29)16-2-4-19-15(8-16)3-5-22(19)33-26(37)27(6-7-27)34-25(36)17-11-30-13-31-12-17/h2,4,8-13,22H,3,5-7H2,1H3,(H,33,37)(H,34,36).

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

N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide has a molecular weight of 532.96 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72661407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).