1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate

C50H48F2N10O6 — CID 158771330

IUPAC1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate
SMILESCN.CNC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.CO.COC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H20FN5O2.C24H19FN4O3.CH5N.CH4O/c1-26-22(31)15-3-2-4-16(11-15)24(9-10-24)29-23(32)20-12-27-14-21-19(20)13-28-30(21)18-7-5-17(25)6-8-18;1-32-23(31)15-3-2-4-16(11-15)24(9-10-24)28-22(30)20-12-26-14-21-19(20)13-27-29(21)18-7-5-17(25)6-8-18;2*1-2/h2-8,11-14H,9-10H2,1H3,(H,26,31)(H,29,32);2-8,11-14H,9-10H2,1H3,(H,28,30);2H2,1H3;2H,1H3
InChIKeyIPXCHSUUXARIJW-UHFFFAOYSA-N
MW922.99 g/mol
LogP6.29
Rot. Bonds10

About 1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate

1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate (PubChem CID 158771330) has the molecular formula C50H48F2N10O6 and a molecular weight of 922.99 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate
PubChem CID158771330
Molecular FormulaC50H48F2N10O6
Molecular Weight922.99 g/mol
Exact Mass922.37
IUPAC Name1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate
SMILESCN.CNC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.CO.COC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H20FN5O2.C24H19FN4O3.CH5N.CH4O/c1-26-22(31)15-3-2-4-16(11-15)24(9-10-24)29-23(32)20-12-27-14-21-19(20)13-28-30(21)18-7-5-17(25)6-8-18;1-32-23(31)15-3-2-4-16(11-15)24(9-10-24)28-22(30)20-12-26-14-21-19(20)13-27-29(21)18-7-5-17(25)6-8-18;2*1-2/h2-8,11-14H,9-10H2,1H3,(H,26,31)(H,29,32);2-8,11-14H,9-10H2,1H3,(H,28,30);2H2,1H3;2H,1H3
InChIKeyIPXCHSUUXARIJW-UHFFFAOYSA-N
XLogP6.29
TPSA221.27 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500922.99
LogP ≤ 56.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate with MolForge

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Related Compounds

US10301306, Example 172
CID 146012494
3-(1-{[1-(4-fluoro-phenyl)-1H-pyrazolo[3,4-c]pyridine-4-carbonyl]-amino}-cyclopropyl)-benzoic acid methyl ester
CID 52916888
3-(1-{[1-(4-fluoro-phenyl)-1H-pyrazolo[3,4-c]pyridine-4-carbonyl]-amino}-cyclopropyl)-benzoic acid
CID 52916889
1-(4-fluorophenyl)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 54589114
Methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate
CID 54589193
methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-4-oxo-2-[(1R)-1-trityloxyethyl]heptanoate
CID 58084212
Methyl 2-(4-fluorophenyl)-6-(N-(2-hydroxyethyl)methylsulfonamido)-5-(3-(1-(pyridin-2-yl)cyclopropylcarbamoyl)phenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 59233739
2-carbamoyl-4-((S)-1-{[1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carbonyl]-amino}-propyl)-piperidine-1-carboxylic acid benzyl ester
CID 66727008
Methyl 2-(4-fluorophenyl)-6-(3-hydroxypropylsulfonylamino)-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 68466527
Benzyl 2-carbamoyl-4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate
CID 68569735
4-(3-(5-(2-(2,2-Dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-ylcarbamoyl)pyrazolo[1,5-a]pyridin-6-yl)-2-fluorobenzoic acid
CID 71283279
Butyl-[2-(4-fluorophenyl)-3-methoxycarbonyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridin-6-yl]-methyl-methylsulfonylazanium
CID 90742177

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate (CID 158771330) is 1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate is CN.CNC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.CO.COC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate?
The InChIKey is IPXCHSUUXARIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2.C24H19FN4O3.CH5N.CH4O/c1-26-22(31)15-3-2-4-16(11-15)24(9-10-24)29-23(32)20-12-27-14-21-19(20)13-28-30(21)18-7-5-17(25)6-8-18;1-32-23(31)15-3-2-4-16(11-15)24(9-10-24)28-22(30)20-12-26-14-21-19(20)13-27-29(21)18-7-5-17(25)6-8-18;2*1-2/h2-8,11-14H,9-10H2,1H3,(H,26,31)(H,29,32);2-8,11-14H,9-10H2,1H3,(H,28,30);2H2,1H3;2H,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate?
1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate has a molecular weight of 922.99 g/mol, XLogP of 6.29, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-[3-(methylcarbamoyl)phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanamine;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate is sourced from PubChem (CID 158771330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).