N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C24H18ClF3N6O3S — CID 19491311

About N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19491311) has the molecular formula C24H18ClF3N6O3S and a molecular weight of 562.96 g/mol. Its IUPAC name is N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
• PubChem CID: 19491311
• Molecular Formula: C24H18ClF3N6O3S
• Molecular Weight: 562.96 g/mol
• Exact Mass: 562.08
• IUPAC Name: N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
• SMILES: Cc1c(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)C4CC(c5c(F)cccc5Cl)=NO4)c23)cnn1C
• InChI: InChI=1S/C24H18ClF3N6O3S/c1-9-11(8-30-34(9)2)10-6-15(21(27)28)31-24-17(10)19(20(38-24)22(29)35)32-23(36)16-7-14(33-37-16)18-12(25)4-3-5-13(18)26/h3-6,8,16,21H,7H2,1-2H3,(H2,29,35)(H,32,36)
• InChIKey: BWESPVXWPDHUCX-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 124.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.96
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19491311) is N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1c(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)C4CC(c5c(F)cccc5Cl)=NO4)c23)cnn1C.

What is the InChIKey of N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?

The InChIKey is BWESPVXWPDHUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N6O3S/c1-9-11(8-30-34(9)2)10-6-15(21(27)28)31-24-17(10)19(20(38-24)22(29)35)32-23(36)16-7-14(33-37-16)18-12(25)4-3-5-13(18)26/h3-6,8,16,21H,7H2,1-2H3,(H2,29,35)(H,32,36).

What are the key properties of N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?

N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 562.96 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19491311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).