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

C48H44F2N10O6 — CID 160937752

IUPACazane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate
SMILESCO.COC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.N.NC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H19FN4O3.C23H18FN5O2.CH4O.H3N/c1-32-23(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;24-16-4-6-17(7-5-16)29-20-13-26-11-19(18(20)12-27-29)22(31)28-23(8-9-23)15-3-1-2-14(10-15)21(25)30;1-2;/h2-8,11-14H,9-10H2,1H3,(H,28,30);1-7,10-13H,8-9H2,(H2,25,30)(H,28,31);2H,1H3;1H3
InChIKeyMEBHJXYXQDYXDJ-UHFFFAOYSA-N
MW894.94 g/mol
LogP6.61
Rot. Bonds10

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

azane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate (PubChem CID 160937752) has the molecular formula C48H44F2N10O6 and a molecular weight of 894.94 g/mol. Its IUPAC name is azane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate.

Molecular Properties

Compound Nameazane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate
PubChem CID160937752
Molecular FormulaC48H44F2N10O6
Molecular Weight894.94 g/mol
Exact Mass894.34
IUPAC Nameazane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate
SMILESCO.COC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.N.NC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H19FN4O3.C23H18FN5O2.CH4O.H3N/c1-32-23(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;24-16-4-6-17(7-5-16)29-20-13-26-11-19(18(20)12-27-29)22(31)28-23(8-9-23)15-3-1-2-14(10-15)21(25)30;1-2;/h2-8,11-14H,9-10H2,1H3,(H,28,30);1-7,10-13H,8-9H2,(H2,25,30)(H,28,31);2H,1H3;1H3
InChIKeyMEBHJXYXQDYXDJ-UHFFFAOYSA-N
XLogP6.61
TPSA244.24 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500894.94
LogP ≤ 56.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze azane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;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

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
4-[1-[[1-(4-Fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid
CID 52917126
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
methyl 2-(4-fluorophenyl)-6-(N-(2-hydroxyethyl)methylsulfonamido)-5-(3-(2-phenylpropan-2-ylcarbamoyl)phenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 59233818
Methyl 2-(4-fluorophenyl)-6-(3-hydroxypropylsulfonylamino)-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 68466527
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
Ethyl 5-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-3-carboxylate;5-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-3-carboxylic acid
CID 87301802
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 azane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate?
The IUPAC name of azane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate (CID 160937752) is azane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate.
What is the SMILES notation for azane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate?
The canonical SMILES for azane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate is CO.COC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.N.NC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of azane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate?
The InChIKey is MEBHJXYXQDYXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3.C23H18FN5O2.CH4O.H3N/c1-32-23(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;24-16-4-6-17(7-5-16)29-20-13-26-11-19(18(20)12-27-29)22(31)28-23(8-9-23)15-3-1-2-14(10-15)21(25)30;1-2;/h2-8,11-14H,9-10H2,1H3,(H,28,30);1-7,10-13H,8-9H2,(H2,25,30)(H,28,31);2H,1H3;1H3.
What are the key properties of azane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate?
azane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate has a molecular weight of 894.94 g/mol, XLogP of 6.61, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-[1-(3-carbamoylphenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate is sourced from PubChem (CID 160937752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).