1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C23H23FN6O5S2 — CID 155550101

IUPAC1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)NCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C23H23FN6O5S2/c1-36(32,33)22-11-15(7-9-26-22)20(8-10-28-37(2,34)35)29-23(31)19-12-25-14-21-18(19)13-27-30(21)17-5-3-16(24)4-6-17/h3-7,9,11-14,20,28H,8,10H2,1-2H3,(H,29,31)/t20-/m0/s1
InChIKeyWNEINSVFBXZUFH-FQEVSTJZSA-N
MW546.61 g/mol
LogP1.77
Rot. Bonds9

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

1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 155550101) has the molecular formula C23H23FN6O5S2 and a molecular weight of 546.61 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID155550101
Molecular FormulaC23H23FN6O5S2
Molecular Weight546.61 g/mol
Exact Mass546.12
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)NCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C23H23FN6O5S2/c1-36(32,33)22-11-15(7-9-26-22)20(8-10-28-37(2,34)35)29-23(31)19-12-25-14-21-18(19)13-27-30(21)17-5-3-16(24)4-6-17/h3-7,9,11-14,20,28H,8,10H2,1-2H3,(H,29,31)/t20-/m0/s1
InChIKeyWNEINSVFBXZUFH-FQEVSTJZSA-N
XLogP1.77
TPSA153.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.61
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 155550101) is 1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CS(=O)(=O)NCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is WNEINSVFBXZUFH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23FN6O5S2/c1-36(32,33)22-11-15(7-9-26-22)20(8-10-28-37(2,34)35)29-23(31)19-12-25-14-21-18(19)13-27-30(21)17-5-3-16(24)4-6-17/h3-7,9,11-14,20,28H,8,10H2,1-2H3,(H,29,31)/t20-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 546.61 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-3-(methanesulfonamido)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 155550101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).