N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C16H21Cl2N7O — CID 119889495

IUPACN-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccn2ccnc2c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H19N7O.2ClH/c24-16(14-11-23(21-20-14)13-1-4-17-5-2-13)19-10-12-3-7-22-8-6-18-15(22)9-12;;/h3,6-9,11,13,17H,1-2,4-5,10H2,(H,19,24);2*1H
InChIKeyCJZPBUQJLSDKNC-UHFFFAOYSA-N
MW398.30 g/mol
LogP1.62
Rot. Bonds4

About N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119889495) has the molecular formula C16H21Cl2N7O and a molecular weight of 398.30 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119889495
Molecular FormulaC16H21Cl2N7O
Molecular Weight398.30 g/mol
Exact Mass397.12
IUPAC NameN-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccn2ccnc2c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H19N7O.2ClH/c24-16(14-11-23(21-20-14)13-1-4-17-5-2-13)19-10-12-3-7-22-8-6-18-15(22)9-12;;/h3,6-9,11,13,17H,1-2,4-5,10H2,(H,19,24);2*1H
InChIKeyCJZPBUQJLSDKNC-UHFFFAOYSA-N
XLogP1.62
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-[(3-ethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714461
1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide
CID 119725267
N-[(3-phenoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119732509
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 86701970
N-[(6-phenoxy-3-pyridinyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119872250
N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709617
ethyl 4-[[(1-piperidin-4-yltriazole-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746496
N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119846347
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119846496
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119889495) is N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1ccn2ccnc2c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is CJZPBUQJLSDKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O.2ClH/c24-16(14-11-23(21-20-14)13-1-4-17-5-2-13)19-10-12-3-7-22-8-6-18-15(22)9-12;;/h3,6-9,11,13,17H,1-2,4-5,10H2,(H,19,24);2*1H.
What are the key properties of N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 398.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119889495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).