N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane

C67H58F3N17O8 — CID 160776498

IUPACN-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C#N)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(=O)O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(N)=O)c1.COO
InChIInChI=1S/C22H19FN6O2.C22H17FN6O.C22H18FN5O3.CH4O2/c1-2-18(13-7-8-26-19(9-13)21(24)30)28-22(31)17-10-25-12-20-16(17)11-27-29(20)15-5-3-14(23)4-6-15;1-2-20(14-7-8-26-16(9-14)10-24)28-22(30)19-11-25-13-21-18(19)12-27-29(21)17-5-3-15(23)4-6-17;1-2-18(13-7-8-25-19(9-13)22(30)31)27-21(29)17-10-24-12-20-16(17)11-26-28(20)15-5-3-14(23)4-6-15;1-3-2/h3-12,18H,2H2,1H3,(H2,24,30)(H,28,31);3-9,11-13,20H,2H2,1H3,(H,28,30);3-12,18H,2H2,1H3,(H,27,29)(H,30,31);2H,1H3/t18-;20-;18-;/m000./s1
InChIKeyRZZZELQXADZSOM-FTYBKBMFSA-N
MW1286.31 g/mol
LogP10.28
Rot. Bonds17

About N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane

N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane (PubChem CID 160776498) has the molecular formula C67H58F3N17O8 and a molecular weight of 1286.31 g/mol. Its IUPAC name is N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane.

Molecular Properties

Compound NameN-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane
PubChem CID160776498
Molecular FormulaC67H58F3N17O8
Molecular Weight1286.31 g/mol
Exact Mass1285.46
IUPAC NameN-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C#N)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(=O)O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(N)=O)c1.COO
InChIInChI=1S/C22H19FN6O2.C22H17FN6O.C22H18FN5O3.CH4O2/c1-2-18(13-7-8-26-19(9-13)21(24)30)28-22(31)17-10-25-12-20-16(17)11-27-29(20)15-5-3-14(23)4-6-15;1-2-20(14-7-8-26-16(9-14)10-24)28-22(30)19-11-25-13-21-18(19)12-27-29(21)17-5-3-15(23)4-6-17;1-2-18(13-7-8-25-19(9-13)22(30)31)27-21(29)17-10-24-12-20-16(17)11-26-28(20)15-5-3-14(23)4-6-15;1-3-2/h3-12,18H,2H2,1H3,(H2,24,30)(H,28,31);3-9,11-13,20H,2H2,1H3,(H,28,30);3-12,18H,2H2,1H3,(H,27,29)(H,30,31);2H,1H3/t18-;20-;18-;/m000./s1
InChIKeyRZZZELQXADZSOM-FTYBKBMFSA-N
XLogP10.28
TPSA351.74 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001286.31
LogP ≤ 510.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane with MolForge

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Related Compounds

4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
CID 45136967
4-[1-[[1-(4-Fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
CID 75095703
3-[4-fluoro-3-[2-oxo-2-[4-(5-phenyl-1H-pyrazol-4-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid
CID 150054192
CID 157868921
CID 157868921
5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione
CID 158240670
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 158749894
6-(5-carbamoyl-3-pyridinyl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;5-[6-[[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxylic acid;N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 160048613
Formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 164961693
9-[4-[[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]piperidine-1-carbonyl]pyrido[3,4-b]indole-1-carboxylic acid
CID 171811655
9-[3-[[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]propyl]pyrido[3,4-b]indole-1-carboxylic acid
CID 171811721
9-[4-[[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]cyclohexyl]pyrido[3,4-b]indole-1-carboxylic acid
CID 171811741
7-[4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]-N-[2-[4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)pyridine-3-carbonyl]oxy-2-methylpropyl]pyrrolo[1,2-b]pyridazine-3-carbonitrilium
CID 176661911

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane?
The IUPAC name of N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane (CID 160776498) is N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane.
What is the SMILES notation for N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane?
The canonical SMILES for N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C#N)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(=O)O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(N)=O)c1.COO.
What is the InChIKey of N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane?
The InChIKey is RZZZELQXADZSOM-FTYBKBMFSA-N. The full InChI is InChI=1S/C22H19FN6O2.C22H17FN6O.C22H18FN5O3.CH4O2/c1-2-18(13-7-8-26-19(9-13)21(24)30)28-22(31)17-10-25-12-20-16(17)11-27-29(20)15-5-3-14(23)4-6-15;1-2-20(14-7-8-26-16(9-14)10-24)28-22(30)19-11-25-13-21-18(19)12-27-29(21)17-5-3-15(23)4-6-17;1-2-18(13-7-8-25-19(9-13)22(30)31)27-21(29)17-10-24-12-20-16(17)11-26-28(20)15-5-3-14(23)4-6-15;1-3-2/h3-12,18H,2H2,1H3,(H2,24,30)(H,28,31);3-9,11-13,20H,2H2,1H3,(H,28,30);3-12,18H,2H2,1H3,(H,27,29)(H,30,31);2H,1H3/t18-;20-;18-;/m000./s1.
What are the key properties of N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane?
N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane has a molecular weight of 1286.31 g/mol, XLogP of 10.28, 17 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane is sourced from PubChem (CID 160776498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).