1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C23H22FN5O4S — CID 59278196

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(OC)nc(S(C)(=O)=O)c1
InChIInChI=1S/C23H22FN5O4S/c1-4-19(14-9-21(33-2)28-22(10-14)34(3,31)32)27-23(30)18-11-25-13-20-17(18)12-26-29(20)16-7-5-15(24)6-8-16/h5-13,19H,4H2,1-3H3,(H,27,30)/t19-/m0/s1
InChIKeyYXFMDUKJYYWGQJ-IBGZPJMESA-N
MW483.53 g/mol
LogP3.25
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278196) has the molecular formula C23H22FN5O4S and a molecular weight of 483.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278196
Molecular FormulaC23H22FN5O4S
Molecular Weight483.53 g/mol
Exact Mass483.14
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(OC)nc(S(C)(=O)=O)c1
InChIInChI=1S/C23H22FN5O4S/c1-4-19(14-9-21(33-2)28-22(10-14)34(3,31)32)27-23(30)18-11-25-13-20-17(18)12-26-29(20)16-7-5-15(24)6-8-16/h5-13,19H,4H2,1-3H3,(H,27,30)/t19-/m0/s1
InChIKeyYXFMDUKJYYWGQJ-IBGZPJMESA-N
XLogP3.25
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278196) is 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(OC)nc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is YXFMDUKJYYWGQJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22FN5O4S/c1-4-19(14-9-21(33-2)28-22(10-14)34(3,31)32)27-23(30)18-11-25-13-20-17(18)12-26-29(20)16-7-5-15(24)6-8-16/h5-13,19H,4H2,1-3H3,(H,27,30)/t19-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).