N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C51H53F2N11O7S2 — CID 123996815

About N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 123996815) has the molecular formula C51H53F2N11O7S2 and a molecular weight of 1034.18 g/mol. Its IUPAC name is N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 123996815
• Molecular Formula: C51H53F2N11O7S2
• Molecular Weight: 1034.18 g/mol
• Exact Mass: 1033.35
• IUPAC Name: N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(CC(C)C)nc(S(C)(=O)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(CCC(N)=O)nc(S(C)(=O)=O)c1
• InChI: InChI=1S/C26H28FN5O3S.C25H25FN6O4S/c1-5-23(17-11-19(10-16(2)3)30-25(12-17)36(4,34)35)31-26(33)22-13-28-15-24-21(22)14-29-32(24)20-8-6-18(27)7-9-20;1-3-21(15-10-17(6-9-23(27)33)30-24(11-15)37(2,35)36)31-25(34)20-12-28-14-22-19(20)13-29-32(22)18-7-4-16(26)5-8-18/h6-9,11-16,23H,5,10H2,1-4H3,(H,31,33);4-5,7-8,10-14,21H,3,6,9H2,1-2H3,(H2,27,33)(H,31,34)/t23-;21-/m00/s1
• InChIKey: LXJQZNZDNVJWTA-IECDAOIRSA-N
• XLogP: 7.09
• TPSA: 256.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1034.18
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 123996815) is N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(CC(C)C)nc(S(C)(=O)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(CCC(N)=O)nc(S(C)(=O)=O)c1.

What is the InChIKey of N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is LXJQZNZDNVJWTA-IECDAOIRSA-N. The full InChI is InChI=1S/C26H28FN5O3S.C25H25FN6O4S/c1-5-23(17-11-19(10-16(2)3)30-25(12-17)36(4,34)35)31-26(33)22-13-28-15-24-21(22)14-29-32(24)20-8-6-18(27)7-9-20;1-3-21(15-10-17(6-9-23(27)33)30-24(11-15)37(2,35)36)31-25(34)20-12-28-14-22-19(20)13-29-32(22)18-7-4-16(26)5-8-18/h6-9,11-16,23H,5,10H2,1-4H3,(H,31,33);4-5,7-8,10-14,21H,3,6,9H2,1-2H3,(H2,27,33)(H,31,34)/t23-;21-/m00/s1.

What are the key properties of N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 1034.18 g/mol, XLogP of 7.09, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 123996815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).