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

C20H25Cl3N6O — CID 89445232

IUPACN-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCCNC(=O)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C20H23ClN6O.2ClH/c21-14-4-6-15(7-5-14)27-18-13-23-10-8-16(18)19(25-27)26-12-2-1-3-17(26)20(28)24-11-9-22;;/h4-8,10,13,17H,1-3,9,11-12,22H2,(H,24,28);2*1H
InChIKeyLYRJOXMRKGZNPG-UHFFFAOYSA-N
MW471.82 g/mol
LogP3.35
Rot. Bonds5

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

N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 89445232) has the molecular formula C20H25Cl3N6O and a molecular weight of 471.82 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride
PubChem CID89445232
Molecular FormulaC20H25Cl3N6O
Molecular Weight471.82 g/mol
Exact Mass470.12
IUPAC NameN-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCCNC(=O)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C20H23ClN6O.2ClH/c21-14-4-6-15(7-5-14)27-18-13-23-10-8-16(18)19(25-27)26-12-2-1-3-17(26)20(28)24-11-9-22;;/h4-8,10,13,17H,1-3,9,11-12,22H2,(H,24,28);2*1H
InChIKeyLYRJOXMRKGZNPG-UHFFFAOYSA-N
XLogP3.35
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.82
LogP ≤ 53.35
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-4-carboxamide
CID 71516167
N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide
CID 67418601
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
4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid
CID 89440941
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
3-aminopropyl 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylate;trihydrochloride
CID 140654567
(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 90115301
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
(2S)-1-(4-chlorophenyl)piperidine-2-carboxylic acid
CID 58564077
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide
CID 72838302
1-(4-chlorophenyl)-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 75218781

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride (CID 89445232) is N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride is Cl.Cl.NCCNC(=O)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is LYRJOXMRKGZNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O.2ClH/c21-14-4-6-15(7-5-14)27-18-13-23-10-8-16(18)19(25-27)26-12-2-1-3-17(26)20(28)24-11-9-22;;/h4-8,10,13,17H,1-3,9,11-12,22H2,(H,24,28);2*1H.
What are the key properties of N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 471.82 g/mol, XLogP of 3.35, 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-2-carboxamide;dihydrochloride is sourced from PubChem (CID 89445232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).