4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid

C25H32N6O3 — CID 138731564

IUPAC4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
SMILESCCC1(n2nc(Nc3ccc(C4CCNCC4)cc3)c3c(=O)[nH]ccc32)CCN(C(=O)O)CC1
InChIInChI=1S/C25H32N6O3/c1-2-25(10-15-30(16-11-25)24(33)34)31-20-9-14-27-23(32)21(20)22(29-31)28-19-5-3-17(4-6-19)18-7-12-26-13-8-18/h3-6,9,14,18,26H,2,7-8,10-13,15-16H2,1H3,(H,27,32)(H,28,29)(H,33,34)
InChIKeyGBNKQJUQIYCAGP-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.81
Rot. Bonds5

About 4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid

4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid (PubChem CID 138731564) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
PubChem CID138731564
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
SMILESCCC1(n2nc(Nc3ccc(C4CCNCC4)cc3)c3c(=O)[nH]ccc32)CCN(C(=O)O)CC1
InChIInChI=1S/C25H32N6O3/c1-2-25(10-15-30(16-11-25)24(33)34)31-20-9-14-27-23(32)21(20)22(29-31)28-19-5-3-17(4-6-19)18-7-12-26-13-8-18/h3-6,9,14,18,26H,2,7-8,10-13,15-16H2,1H3,(H,27,32)(H,28,29)(H,33,34)
InChIKeyGBNKQJUQIYCAGP-UHFFFAOYSA-N
XLogP3.81
TPSA115.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl 4-ethyl-4-[3-[4-(2-methoxypropan-2-yl)anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 137214936
4-ethyl-4-[3-[3-methyl-4-(2-oxa-5-azabicyclo[4.1.0]heptane-5-carbonyl)anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 138731545
2-tert-butyl-4-ethyl-4-[4-oxo-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 138731620
4-ethyl-4-[3-[3-methyl-4-[3-(2-methylpropyl)morpholine-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 138731559
4-(cyanomethyl)-4-[4-oxo-3-[4-[(2,2,2-trifluoroethylamino)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 137297645
4-(cyanomethyl)-4-[3-[4-(cyclohexylsulfamoyl)anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 137297794
4-(cyanomethyl)-4-[3-(3-methylanilino)-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 137297703
4-(cyanomethyl)-4-[3-(cyclobutylamino)-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 137297712
tert-butyl 4-[3-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methylanilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]-4-ethylpiperidine-1-carboxylate
CID 137216694
tert-butyl 4-ethyl-4-[3-[3-methyl-4-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 137216722
tert-butyl 4-(cyanomethyl)-4-[3-[4-(3-methylpyrrolidin-3-yl)anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 137091311
4-[3-[4-[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]-4-(cyanomethyl)piperidine-1-carboxylic acid
CID 137297795

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid (CID 138731564) is 4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid is CCC1(n2nc(Nc3ccc(C4CCNCC4)cc3)c3c(=O)[nH]ccc32)CCN(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid?
The InChIKey is GBNKQJUQIYCAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-2-25(10-15-30(16-11-25)24(33)34)31-20-9-14-27-23(32)21(20)22(29-31)28-19-5-3-17(4-6-19)18-7-12-26-13-8-18/h3-6,9,14,18,26H,2,7-8,10-13,15-16H2,1H3,(H,27,32)(H,28,29)(H,33,34).
What are the key properties of 4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid?
4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid has a molecular weight of 464.57 g/mol, XLogP of 3.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 138731564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).