1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C22H22FN7O3S — CID 59278393

IUPAC1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc(N(C)S(C)(=O)=O)nc1
InChIInChI=1S/C22H22FN7O3S/c1-4-19(14-9-25-22(26-10-14)29(2)34(3,32)33)28-21(31)18-11-24-13-20-17(18)12-27-30(20)16-7-5-15(23)6-8-16/h5-13,19H,4H2,1-3H3,(H,28,31)
InChIKeyCMOIBIHVQLFHHH-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.63
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278393) has the molecular formula C22H22FN7O3S and a molecular weight of 483.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278393
Molecular FormulaC22H22FN7O3S
Molecular Weight483.53 g/mol
Exact Mass483.15
IUPAC Name1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc(N(C)S(C)(=O)=O)nc1
InChIInChI=1S/C22H22FN7O3S/c1-4-19(14-9-25-22(26-10-14)29(2)34(3,32)33)28-21(31)18-11-24-13-20-17(18)12-27-30(20)16-7-5-15(23)6-8-16/h5-13,19H,4H2,1-3H3,(H,28,31)
InChIKeyCMOIBIHVQLFHHH-UHFFFAOYSA-N
XLogP2.63
TPSA122.97 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-fluorophenyl)-N-[(1S)-1-(3-methoxy-4-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278162
N-[(1S)-1-(2-chloro-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45136963
4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
CID 45136967
1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-2-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278500
ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 143965573
N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45136965
1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45102641
3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-3-pyridinyl]sulfonyl]propanoic acid
CID 59278301
5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid
CID 59278267
1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 143965653
N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278299
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-3-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 158469598

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278393) is 1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc(N(C)S(C)(=O)=O)nc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is CMOIBIHVQLFHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O3S/c1-4-19(14-9-25-22(26-10-14)29(2)34(3,32)33)28-21(31)18-11-24-13-20-17(18)12-27-30(20)16-7-5-15(23)6-8-16/h5-13,19H,4H2,1-3H3,(H,28,31).
What are the key properties of 1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.63, 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-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).