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

C23H22F2N6O5S — CID 67200082

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

N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(oxolane-2-carbonylamino)pyridine-4-carboxamide (PubChem CID 67200082) has the molecular formula C23H22F2N6O5S and a molecular weight of 532.53 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(oxolane-2-carbonylamino)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(oxolane-2-carbonylamino)pyridine-4-carboxamide
• PubChem CID: 67200082
• Molecular Formula: C23H22F2N6O5S
• Molecular Weight: 532.53 g/mol
• Exact Mass: 532.13
• IUPAC Name: N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(oxolane-2-carbonylamino)pyridine-4-carboxamide
• SMILES: O=C(Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1ccncc1NC(=O)C1CCCO1
• InChI: InChI=1S/C23H22F2N6O5S/c24-13-8-14(25)10-15(9-13)37(34,35)31-6-4-18-17(12-31)21(30-29-18)28-22(32)16-3-5-26-11-19(16)27-23(33)20-2-1-7-36-20/h3,5,8-11,20H,1-2,4,6-7,12H2,(H,27,33)(H2,28,29,30,32)
• InChIKey: SECVOIIZOAUITI-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 146.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.53
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(oxolane-2-carbonylamino)pyridine-4-carboxamide (CID 67200082) is N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(oxolane-2-carbonylamino)pyridine-4-carboxamide.

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

The canonical SMILES for N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(oxolane-2-carbonylamino)pyridine-4-carboxamide is O=C(Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1ccncc1NC(=O)C1CCCO1.

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

The InChIKey is SECVOIIZOAUITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O5S/c24-13-8-14(25)10-15(9-13)37(34,35)31-6-4-18-17(12-31)21(30-29-18)28-22(32)16-3-5-26-11-19(16)27-23(33)20-2-1-7-36-20/h3,5,8-11,20H,1-2,4,6-7,12H2,(H,27,33)(H2,28,29,30,32).

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

N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(oxolane-2-carbonylamino)pyridine-4-carboxamide has a molecular weight of 532.53 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(oxolane-2-carbonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 67200082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).