1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride

C43H40ClF2N9O7S2 — CID 157465038

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccnc(S(C)(=O)=O)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1.Cl.O=C(O)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H19FN4O3S.C13H8FN3O2.C8H12N2O2S.ClH/c1-14(15-4-3-5-18(10-15)31(2,29)30)26-22(28)20-11-24-13-21-19(20)12-25-27(21)17-8-6-16(23)7-9-17;14-8-1-3-9(4-2-8)17-12-7-15-5-11(13(18)19)10(12)6-16-17;1-6(9)7-3-4-10-8(5-7)13(2,11)12;/h3-14H,1-2H3,(H,26,28);1-7H,(H,18,19);3-6H,9H2,1-2H3;1H/t14-;;6-;/m0.0./s1
InChIKeyZEPLLWWVMKGKTL-HKJMXGJCSA-N
MW932.43 g/mol
LogP6.64
Rot. Bonds9

About 1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride

1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride (PubChem CID 157465038) has the molecular formula C43H40ClF2N9O7S2 and a molecular weight of 932.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride
PubChem CID157465038
Molecular FormulaC43H40ClF2N9O7S2
Molecular Weight932.43 g/mol
Exact Mass931.21
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccnc(S(C)(=O)=O)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1.Cl.O=C(O)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H19FN4O3S.C13H8FN3O2.C8H12N2O2S.ClH/c1-14(15-4-3-5-18(10-15)31(2,29)30)26-22(28)20-11-24-13-21-19(20)12-25-27(21)17-8-6-16(23)7-9-17;14-8-1-3-9(4-2-8)17-12-7-15-5-11(13(18)19)10(12)6-16-17;1-6(9)7-3-4-10-8(5-7)13(2,11)12;/h3-14H,1-2H3,(H,26,28);1-7H,(H,18,19);3-6H,9H2,1-2H3;1H/t14-;;6-;/m0.0./s1
InChIKeyZEPLLWWVMKGKTL-HKJMXGJCSA-N
XLogP6.64
TPSA235.01 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500932.43
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride with MolForge

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Related Compounds

1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278097
1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid[(S)-3-hydroxy-1-(2-methanesulfonyl-pyridin-4-yl)-propyl]-amide
CID 59278198
trifluoromethanesulfonic acid 4-((S)-1-{[1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carbonyl]-amino}-propyl)-6-methanesulfonyl-pyridin-2-yl ester
CID 59278225
3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid
CID 59278259
(S)-3-{[1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carbonyl]-amino}-3-(2-methanesulfonyl-pyridin-4-yl)-propionic acid methyl ester
CID 59278327
Methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate
CID 66727130
(S)-3-{[1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carbonyl]-amino}-3-(2-methanesulfonyl-pyridin-4-yl)-propionic acid
CID 66727356
3-[[1-(4-Fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoic acid
CID 66727357
1-(4-fluorophenyl)-N-[(1S)-4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 70897253
1-(4-fluorophenyl)-N-[3-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 72244570
[4-[1-[[1-(4-Fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate
CID 72244584
1-(4-fluorophenyl)-N-[4-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 77948614

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride (CID 157465038) is 1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride is C[C@H](N)c1ccnc(S(C)(=O)=O)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1.Cl.O=C(O)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride?
The InChIKey is ZEPLLWWVMKGKTL-HKJMXGJCSA-N. The full InChI is InChI=1S/C22H19FN4O3S.C13H8FN3O2.C8H12N2O2S.ClH/c1-14(15-4-3-5-18(10-15)31(2,29)30)26-22(28)20-11-24-13-21-19(20)12-25-27(21)17-8-6-16(23)7-9-17;14-8-1-3-9(4-2-8)17-12-7-15-5-11(13(18)19)10(12)6-16-17;1-6(9)7-3-4-10-8(5-7)13(2,11)12;/h3-14H,1-2H3,(H,26,28);1-7H,(H,18,19);3-6H,9H2,1-2H3;1H/t14-;;6-;/m0.0./s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride?
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride has a molecular weight of 932.43 g/mol, XLogP of 6.64, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid;(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethanamine;hydrochloride is sourced from PubChem (CID 157465038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).