N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

C17H22Cl2N6O — CID 120938055

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1cn2ccccc2n1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H20N6O.2ClH/c24-16(17(5-8-18-9-6-17)23-11-3-7-20-23)19-12-14-13-22-10-2-1-4-15(22)21-14;;/h1-4,7,10-11,13,18H,5-6,8-9,12H2,(H,19,24);2*1H
InChIKeyNBANWTYFVQGGOB-UHFFFAOYSA-N
MW397.31 g/mol
LogP1.77
Rot. Bonds4

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120938055) has the molecular formula C17H22Cl2N6O and a molecular weight of 397.31 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120938055
Molecular FormulaC17H22Cl2N6O
Molecular Weight397.31 g/mol
Exact Mass396.12
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1cn2ccccc2n1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H20N6O.2ClH/c24-16(17(5-8-18-9-6-17)23-11-3-7-20-23)19-12-14-13-22-10-2-1-4-15(22)21-14;;/h1-4,7,10-11,13,18H,5-6,8-9,12H2,(H,19,24);2*1H
InChIKeyNBANWTYFVQGGOB-UHFFFAOYSA-N
XLogP1.77
TPSA76.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927589
N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918387
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934852

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (CID 120938055) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1cn2ccccc2n1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is NBANWTYFVQGGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.2ClH/c24-16(17(5-8-18-9-6-17)23-11-3-7-20-23)19-12-14-13-22-10-2-1-4-15(22)21-14;;/h1-4,7,10-11,13,18H,5-6,8-9,12H2,(H,19,24);2*1H.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 397.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120938055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).