N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide

C20H23ClN6O — CID 71516167

IUPACN-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide
SMILESNCCNC(=O)C1CCN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C20H23ClN6O/c21-15-1-3-16(4-2-15)27-18-13-23-9-5-17(18)19(25-27)26-11-6-14(7-12-26)20(28)24-10-8-22/h1-5,9,13-14H,6-8,10-12,22H2,(H,24,28)
InChIKeyNQEUXJIRFMCWBP-UHFFFAOYSA-N
MW398.90 g/mol
LogP2.37
Rot. Bonds5

About N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide

N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide (PubChem CID 71516167) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide
PubChem CID71516167
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC NameN-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide
SMILESNCCNC(=O)C1CCN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C20H23ClN6O/c21-15-1-3-16(4-2-15)27-18-13-23-9-5-17(18)19(25-27)26-11-6-14(7-12-26)20(28)24-10-8-22/h1-5,9,13-14H,6-8,10-12,22H2,(H,24,28)
InChIKeyNQEUXJIRFMCWBP-UHFFFAOYSA-N
XLogP2.37
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 89445232
1-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)pyrazolo[5,4-c]pyridine
CID 140654566
N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide
CID 67418601
carbon dioxide;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;hydrochloride
CID 158726702
4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid
CID 89440941
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
1-[2-(4-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 20920398
1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 157374976
3-aminopropyl 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylate;trihydrochloride
CID 140654567
N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide
CID 70900591
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46358720
N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide;1-(4-chlorophenyl)-3-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-c]pyridine;4-[[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]methyl]morpholine;N-[[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]methyl]-1-piperidin-4-ylmethanamine;1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 157374975

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide (CID 71516167) is N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide is NCCNC(=O)C1CCN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide?
The InChIKey is NQEUXJIRFMCWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c21-15-1-3-16(4-2-15)27-18-13-23-9-5-17(18)19(25-27)26-11-6-14(7-12-26)20(28)24-10-8-22/h1-5,9,13-14H,6-8,10-12,22H2,(H,24,28).
What are the key properties of N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide?
N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide has a molecular weight of 398.90 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 71516167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).