N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C27H34FN5O5S — CID 160520113

About N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 160520113) has the molecular formula C27H34FN5O5S and a molecular weight of 559.66 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 160520113
• Molecular Formula: C27H34FN5O5S
• Molecular Weight: 559.66 g/mol
• Exact Mass: 559.23
• IUPAC Name: N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: CCC(F)OCC(C)(C)S(=O)(=O)C1(CN2CCc3c(C(=O)NCc4ccc(C#N)cc4)nn(C)c3C2=O)CC1
• InChI: InChI=1S/C27H34FN5O5S/c1-5-21(28)38-17-26(2,3)39(36,37)27(11-12-27)16-33-13-10-20-22(31-32(4)23(20)25(33)35)24(34)30-15-19-8-6-18(14-29)7-9-19/h6-9,21H,5,10-13,15-17H2,1-4H3,(H,30,34)
• InChIKey: NGHUUUQVVWDAQW-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 134.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.66
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 160520113) is N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CCC(F)OCC(C)(C)S(=O)(=O)C1(CN2CCc3c(C(=O)NCc4ccc(C#N)cc4)nn(C)c3C2=O)CC1.

What is the InChIKey of N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is NGHUUUQVVWDAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O5S/c1-5-21(28)38-17-26(2,3)39(36,37)27(11-12-27)16-33-13-10-20-22(31-32(4)23(20)25(33)35)24(34)30-15-19-8-6-18(14-29)7-9-19/h6-9,21H,5,10-13,15-17H2,1-4H3,(H,30,34).

What are the key properties of N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 559.66 g/mol, XLogP of 2.67, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 160520113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).