1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C26H27FN6O4S — CID 75095990

About 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 75095990) has the molecular formula C26H27FN6O4S and a molecular weight of 538.61 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 75095990
• Molecular Formula: C26H27FN6O4S
• Molecular Weight: 538.61 g/mol
• Exact Mass: 538.18
• IUPAC Name: 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: CS(=O)(=O)c1cc(C(CCN2CCOCC2)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
• InChI: InChI=1S/C26H27FN6O4S/c1-38(35,36)25-14-18(6-8-29-25)23(7-9-32-10-12-37-13-11-32)31-26(34)22-15-28-17-24-21(22)16-30-33(24)20-4-2-19(27)3-5-20/h2-6,8,14-17,23H,7,9-13H2,1H3,(H,31,34)
• InChIKey: LNPGUGQFSIURGT-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 119.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.61
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 75095990) is 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CS(=O)(=O)c1cc(C(CCN2CCOCC2)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is LNPGUGQFSIURGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O4S/c1-38(35,36)25-14-18(6-8-29-25)23(7-9-32-10-12-37-13-11-32)31-26(34)22-15-28-17-24-21(22)16-30-33(24)20-4-2-19(27)3-5-20/h2-6,8,14-17,23H,7,9-13H2,1H3,(H,31,34).

What are the key properties of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 538.61 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)-3-morpholin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 75095990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).