1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride

C21H27Cl2N7O — CID 119861130

IUPAC1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C21H25N7O.2ClH/c29-21(19-14-28(26-25-19)17-8-10-22-11-9-17)23-16-6-4-15(5-7-16)18-13-27-12-2-1-3-20(27)24-18;;/h4-7,13-14,17,22H,1-3,8-12H2,(H,23,29);2*1H
InChIKeyTUVUIQKIEATABJ-UHFFFAOYSA-N
MW464.40 g/mol
LogP3.50
Rot. Bonds4

About 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride

1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride (PubChem CID 119861130) has the molecular formula C21H27Cl2N7O and a molecular weight of 464.40 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride
PubChem CID119861130
Molecular FormulaC21H27Cl2N7O
Molecular Weight464.40 g/mol
Exact Mass463.17
IUPAC Name1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C21H25N7O.2ClH/c29-21(19-14-28(26-25-19)17-8-10-22-11-9-17)23-16-6-4-15(5-7-16)18-13-27-12-2-1-3-20(27)24-18;;/h4-7,13-14,17,22H,1-3,8-12H2,(H,23,29);2*1H
InChIKeyTUVUIQKIEATABJ-UHFFFAOYSA-N
XLogP3.50
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride (CID 119861130) is 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride?
The InChIKey is TUVUIQKIEATABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O.2ClH/c29-21(19-14-28(26-25-19)17-8-10-22-11-9-17)23-16-6-4-15(5-7-16)18-13-27-12-2-1-3-20(27)24-18;;/h4-7,13-14,17,22H,1-3,8-12H2,(H,23,29);2*1H.
What are the key properties of 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride?
1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride has a molecular weight of 464.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]triazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119861130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).