N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide

C24H22F3N5O5S — CID 67201339

About N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide (PubChem CID 67201339) has the molecular formula C24H22F3N5O5S and a molecular weight of 549.53 g/mol. Its IUPAC name is N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide
• PubChem CID: 67201339
• Molecular Formula: C24H22F3N5O5S
• Molecular Weight: 549.53 g/mol
• Exact Mass: 549.13
• IUPAC Name: N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide
• SMILES: O=C(Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1c(F)cccc1NC(=O)C1CCOC1
• InChI: InChI=1S/C24H22F3N5O5S/c25-14-8-15(26)10-16(9-14)38(35,36)32-6-4-19-17(11-32)22(31-30-19)29-24(34)21-18(27)2-1-3-20(21)28-23(33)13-5-7-37-12-13/h1-3,8-10,13H,4-7,11-12H2,(H,28,33)(H2,29,30,31,34)
• InChIKey: JZUMSDYAXLIVIB-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 133.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.53
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide?

The IUPAC name of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide (CID 67201339) is N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide.

What is the SMILES notation for N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide?

The canonical SMILES for N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide is O=C(Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1c(F)cccc1NC(=O)C1CCOC1.

What is the InChIKey of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide?

The InChIKey is JZUMSDYAXLIVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O5S/c25-14-8-15(26)10-16(9-14)38(35,36)32-6-4-19-17(11-32)22(31-30-19)29-24(34)21-18(27)2-1-3-20(21)28-23(33)13-5-7-37-12-13/h1-3,8-10,13H,4-7,11-12H2,(H,28,33)(H2,29,30,31,34).

What are the key properties of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide?

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide has a molecular weight of 549.53 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-3-fluorophenyl]oxolane-3-carboxamide is sourced from PubChem (CID 67201339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).