N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine

C46H44N14O3 — CID 159591118

IUPACN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine
SMILESCN(CCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)c1ccccc1.CNCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.O=C(O)c1ccccc1
InChIInChI=1S/C23H21N7O.C16H17N7.C7H6O2/c1-29(23(31)15-5-3-2-4-6-15)11-12-30-14-18-17-8-7-16(19-9-10-25-27-19)13-20(17)26-22(24)21(18)28-30;1-18-6-7-23-9-12-11-3-2-10(13-4-5-19-21-13)8-14(11)20-16(17)15(12)22-23;8-7(9)6-4-2-1-3-5-6/h2-10,13-14H,11-12H2,1H3,(H2,24,26)(H,25,27);2-5,8-9,18H,6-7H2,1H3,(H2,17,20)(H,19,21);1-5H,(H,8,9)
InChIKeyMKGCWZOOWBYBEC-UHFFFAOYSA-N
MW840.95 g/mol
LogP6.49
Rot. Bonds10

About N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 159591118) has the molecular formula C46H44N14O3 and a molecular weight of 840.95 g/mol. Its IUPAC name is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine
PubChem CID159591118
Molecular FormulaC46H44N14O3
Molecular Weight840.95 g/mol
Exact Mass840.37
IUPAC NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine
SMILESCN(CCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)c1ccccc1.CNCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.O=C(O)c1ccccc1
InChIInChI=1S/C23H21N7O.C16H17N7.C7H6O2/c1-29(23(31)15-5-3-2-4-6-15)11-12-30-14-18-17-8-7-16(19-9-10-25-27-19)13-20(17)26-22(24)21(18)28-30;1-18-6-7-23-9-12-11-3-2-10(13-4-5-19-21-13)8-14(11)20-16(17)15(12)22-23;8-7(9)6-4-2-1-3-5-6/h2-10,13-14H,11-12H2,1H3,(H2,24,26)(H,25,27);2-5,8-9,18H,6-7H2,1H3,(H2,17,20)(H,19,21);1-5H,(H,8,9)
InChIKeyMKGCWZOOWBYBEC-UHFFFAOYSA-N
XLogP6.49
TPSA240.46 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500840.95
LogP ≤ 56.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine with MolForge

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Related Compounds

US20240025884, Example 458
CID 170672938
2-phenylimidazo[1,2-a]pyridin-3-amine;N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide;3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzoic acid
CID 159543318
tert-butyl 5-[[(2R,4R)-1-[1-(4-acetylphenyl)-4,4-difluorocyclohexanecarbonyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-1-[4,4-difluoro-1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 160821414
CID 167566479
CID 167566479
3-fluoro-4-[4-[3-[3-methyl-6-[[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]carbamoyl]indazol-1-yl]propyl]piperidin-1-yl]benzoic acid
CID 177902245
2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[6-[4-[3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenyl]triazol-1-yl]hexylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 167535176
3-[[2-[2-(7-methyl-1H-indazol-5-yl)-1-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]ethyl]imidazol-1-yl]methyl]benzoic acid
CID 11319634
4-benzyl-1-[2-[(1S,4S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]-3-(pyrazin-2-ylamino)indazole-6-carboxylic acid
CID 68179065
2-[2-[1-(6-carbamimidoyl-2H-indazol-3-yl)propyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methylbenzoic acid
CID 69199726
benzoic acid;1-[3-[2-[[5-(dimethylamino)pyridazin-3-yl]methyl-methylamino]ethyl]-2-methyl-1H-indol-5-yl]-1-(3-phenylphenyl)urea
CID 70002340
1-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 91255830
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-methylpyridine-2-carboxamide
CID 148172972

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine (CID 159591118) is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine is CN(CCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)c1ccccc1.CNCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.O=C(O)c1ccccc1.
What is the InChIKey of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is MKGCWZOOWBYBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O.C16H17N7.C7H6O2/c1-29(23(31)15-5-3-2-4-6-15)11-12-30-14-18-17-8-7-16(19-9-10-25-27-19)13-20(17)26-22(24)21(18)28-30;1-18-6-7-23-9-12-11-3-2-10(13-4-5-19-21-13)8-14(11)20-16(17)15(12)22-23;8-7(9)6-4-2-1-3-5-6/h2-10,13-14H,11-12H2,1H3,(H2,24,26)(H,25,27);2-5,8-9,18H,6-7H2,1H3,(H2,17,20)(H,19,21);1-5H,(H,8,9).
What are the key properties of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine?
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 840.95 g/mol, XLogP of 6.49, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 159591118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).