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

C21H18FN5O4S — CID 59278193

IUPAC1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1
InChIInChI=1S/C21H18FN5O4S/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/h3-8,10-12H,9H2,1-2H3,(H,24,28)
InChIKeyHYRFDNSAVXEXCE-UHFFFAOYSA-N
MW455.47 g/mol
LogP2.30
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278193) has the molecular formula C21H18FN5O4S and a molecular weight of 455.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278193
Molecular FormulaC21H18FN5O4S
Molecular Weight455.47 g/mol
Exact Mass455.11
IUPAC Name1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1
InChIInChI=1S/C21H18FN5O4S/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/h3-8,10-12H,9H2,1-2H3,(H,24,28)
InChIKeyHYRFDNSAVXEXCE-UHFFFAOYSA-N
XLogP2.30
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CCR1 antagonist 8
CID 52916803
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138759
1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [(S)-1-(2-methanesulfonyl-pyridin-4-yl)-propyl]-amide
CID 59278286
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278332
1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid (6-methanesulfonyl-pyridin-3-ylmethyl)-amide
CID 45138010
N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138458
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclobutyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 52917500
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278115
1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278235
1-(4-fluorophenyl)-N-[2-(2-methylsulfonyl-4-pyridinyl)propan-2-yl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278307
CCR1 antagonist 9
CID 59278314
N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278474

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278193) is 1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is COc1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is HYRFDNSAVXEXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4S/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/h3-8,10-12H,9H2,1-2H3,(H,24,28).
What are the key properties of 1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).