4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C37H37ClF3N9O4 — CID 162060536

IUPAC4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(-n2nc(N3CCC(C(N)=O)CC3)c3ccncc32)cc1.Clc1ccc(-n2nc(N3CCOCC3)c3ccncc32)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N5O.C16H15ClN4O.C2HF3O2/c1-13-2-4-15(5-3-13)24-17-12-21-9-6-16(17)19(22-24)23-10-7-14(8-11-23)18(20)25;17-12-1-3-13(4-2-12)21-15-11-18-6-5-14(15)16(19-21)20-7-9-22-10-8-20;3-2(4,5)1(6)7/h2-6,9,12,14H,7-8,10-11H2,1H3,(H2,20,25);1-6,11H,7-10H2;(H,6,7)
InChIKeyYZTWDBUQPJNNLG-UHFFFAOYSA-N
MW764.21 g/mol
LogP5.97
Rot. Bonds5

About 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 162060536) has the molecular formula C37H37ClF3N9O4 and a molecular weight of 764.21 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID162060536
Molecular FormulaC37H37ClF3N9O4
Molecular Weight764.21 g/mol
Exact Mass763.26
IUPAC Name4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(-n2nc(N3CCC(C(N)=O)CC3)c3ccncc32)cc1.Clc1ccc(-n2nc(N3CCOCC3)c3ccncc32)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N5O.C16H15ClN4O.C2HF3O2/c1-13-2-4-15(5-3-13)24-17-12-21-9-6-16(17)19(22-24)23-10-7-14(8-11-23)18(20)25;17-12-1-3-13(4-2-12)21-15-11-18-6-5-14(15)16(19-21)20-7-9-22-10-8-20;3-2(4,5)1(6)7/h2-6,9,12,14H,7-8,10-11H2,1H3,(H2,20,25);1-6,11H,7-10H2;(H,6,7)
InChIKeyYZTWDBUQPJNNLG-UHFFFAOYSA-N
XLogP5.97
TPSA157.52 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500764.21
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-(4-Chlorophenyl)-3-(4,4-difluoropiperidin-1-yl)pyrazolo[5,4-c]pyridine;1-(4-chlorophenyl)-3-piperidin-1-ylpyrazolo[5,4-c]pyridine;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-ol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]pyrrolidin-3-ol;3-(3-methoxypyrrolidin-1-yl)-1-(4-methylphenyl)pyrazolo[5,4-c]pyridine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide
CID 158546356
1-(4-Chlorophenyl)-3-(4,4-difluoropiperidin-1-yl)pyrazolo[5,4-c]pyridine;1-(4-chlorophenyl)-3-piperidin-1-ylpyrazolo[5,4-c]pyridine;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-ol;4-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide
CID 159462429
1-(4-Chlorophenyl)-3-(3,3-difluoropyrrolidin-1-yl)pyrazolo[5,4-c]pyridine;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-ol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]pyrrolidin-3-ol;4-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;1-(6-methyl-3-pyridinyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine
CID 161144032
[1-[1-(4-Chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 71516227
N-(2-aminoethyl)-2,3-bis[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-4-oxobutanamide
CID 89442850
4-[1-(4-Chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;3-(3-methoxypyrrolidin-1-yl)-1-(4-methylphenyl)pyrazolo[5,4-c]pyridine
CID 118576901
[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate
CID 129216955
[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid
CID 129216957
1-(4-Chlorophenyl)-3-piperazin-1-ylpyrazolo[5,4-c]pyridine;2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
CID 129216968
3-aminopropyl 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylate;3-aminopropyl 4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylate;2-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methoxy]ethanamine;N'-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]ethane-1,2-diamine
CID 157604975
carbon dioxide;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-3-methylmorpholine;[(3R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-piperazin-1-ylmethanone;[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanol;[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]methanol
CID 157693766
4-[1-(4-Chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine;4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
CID 158008545

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 162060536) is 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(-n2nc(N3CCC(C(N)=O)CC3)c3ccncc32)cc1.Clc1ccc(-n2nc(N3CCOCC3)c3ccncc32)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YZTWDBUQPJNNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O.C16H15ClN4O.C2HF3O2/c1-13-2-4-15(5-3-13)24-17-12-21-9-6-16(17)19(22-24)23-10-7-14(8-11-23)18(20)25;17-12-1-3-13(4-2-12)21-15-11-18-6-5-14(15)16(19-21)20-7-9-22-10-8-20;3-2(4,5)1(6)7/h2-6,9,12,14H,7-8,10-11H2,1H3,(H2,20,25);1-6,11H,7-10H2;(H,6,7).
What are the key properties of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 764.21 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;1-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162060536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).