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

C23H19F2N7O4S — CID 67201784

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

N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(1H-pyrrole-2-carbonylamino)pyridine-2-carboxamide (PubChem CID 67201784) has the molecular formula C23H19F2N7O4S and a molecular weight of 527.51 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(1H-pyrrole-2-carbonylamino)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(1H-pyrrole-2-carbonylamino)pyridine-2-carboxamide
• PubChem CID: 67201784
• Molecular Formula: C23H19F2N7O4S
• Molecular Weight: 527.51 g/mol
• Exact Mass: 527.12
• IUPAC Name: N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(1H-pyrrole-2-carbonylamino)pyridine-2-carboxamide
• SMILES: O=C(Nc1cccnc1C(=O)Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1ccc[nH]1
• InChI: InChI=1S/C23H19F2N7O4S/c24-13-9-14(25)11-15(10-13)37(35,36)32-8-5-17-16(12-32)21(31-30-17)29-23(34)20-18(3-1-7-27-20)28-22(33)19-4-2-6-26-19/h1-4,6-7,9-11,26H,5,8,12H2,(H,28,33)(H2,29,30,31,34)
• InChIKey: XUCNHUOMEQLMPM-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 152.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.51
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

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-(1H-pyrrole-2-carbonylamino)pyridine-2-carboxamide?

The IUPAC name of N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(1H-pyrrole-2-carbonylamino)pyridine-2-carboxamide (CID 67201784) is N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(1H-pyrrole-2-carbonylamino)pyridine-2-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-(1H-pyrrole-2-carbonylamino)pyridine-2-carboxamide?

The canonical SMILES for N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(1H-pyrrole-2-carbonylamino)pyridine-2-carboxamide is O=C(Nc1cccnc1C(=O)Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1ccc[nH]1.

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

The InChIKey is XUCNHUOMEQLMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7O4S/c24-13-9-14(25)11-15(10-13)37(35,36)32-8-5-17-16(12-32)21(31-30-17)29-23(34)20-18(3-1-7-27-20)28-22(33)19-4-2-6-26-19/h1-4,6-7,9-11,26H,5,8,12H2,(H,28,33)(H2,29,30,31,34).

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

N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(1H-pyrrole-2-carbonylamino)pyridine-2-carboxamide has a molecular weight of 527.51 g/mol, XLogP of 2.66, 6 rotatable bonds, 4 hydrogen bond donors, and 6 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-(1H-pyrrole-2-carbonylamino)pyridine-2-carboxamide is sourced from PubChem (CID 67201784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).