acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide

C43H39BrF2N10O10S2 — CID 157127151

About acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide

acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide (PubChem CID 157127151) has the molecular formula C43H39BrF2N10O10S2 and a molecular weight of 1037.88 g/mol. Its IUPAC name is acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide.

Molecular Properties

• Compound Name: acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide
• PubChem CID: 157127151
• Molecular Formula: C43H39BrF2N10O10S2
• Molecular Weight: 1037.88 g/mol
• Exact Mass: 1036.14
• IUPAC Name: acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide
• SMILES: Br.CC(=O)O.COc1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1.CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(=O)[nH]1
• InChI: InChI=1S/C21H18FN5O4S.C20H16FN5O4S.C2H4O2.BrH/c1-31-19-7-13(8-20(26-19)32(2,29)30)9-24-21(28)17-10-23-12-18-16(17)11-25-27(18)15-5-3-14(22)4-6-15;1-31(29,30)19-7-12(6-18(27)25-19)8-23-20(28)16-9-22-11-17-15(16)10-24-26(17)14-4-2-13(21)3-5-14;1-2(3)4;/h3-8,10-12H,9H2,1-2H3,(H,24,28);2-7,9-11H,8H2,1H3,(H,23,28)(H,25,27);1H3,(H,3,4);1H
• InChIKey: KVMFZZWZAOVMSD-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 280.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.88
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide?

The IUPAC name of acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide (CID 157127151) is acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide.

What is the SMILES notation for acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide?

The canonical SMILES for acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide is Br.CC(=O)O.COc1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1.CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(=O)[nH]1.

What is the InChIKey of acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide?

The InChIKey is KVMFZZWZAOVMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4S.C20H16FN5O4S.C2H4O2.BrH/c1-31-19-7-13(8-20(26-19)32(2,29)30)9-24-21(28)17-10-23-12-18-16(17)11-25-27(18)15-5-3-14(22)4-6-15;1-31(29,30)19-7-12(6-18(27)25-19)8-23-20(28)16-9-22-11-17-15(16)10-24-26(17)14-4-2-13(21)3-5-14;1-2(3)4;/h3-8,10-12H,9H2,1-2H3,(H,24,28);2-7,9-11H,8H2,1H3,(H,23,28)(H,25,27);1H3,(H,3,4);1H.

What are the key properties of acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide?

acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide has a molecular weight of 1037.88 g/mol, XLogP of 4.55, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;hydrobromide is sourced from PubChem (CID 157127151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).