N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C17H14ClF3N4O — CID 52935296

IUPACN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ncc(C(F)(F)F)cc3Cl)c(C)nc2c1
InChIInChI=1S/C17H14ClF3N4O/c1-9-3-4-25-14(5-9)24-10(2)15(25)16(26)23-8-13-12(18)6-11(7-22-13)17(19,20)21/h3-7H,8H2,1-2H3,(H,23,26)
InChIKeyMETKHBKAYLOUKZ-UHFFFAOYSA-N
MW382.77 g/mol
LogP3.95
Rot. Bonds3

About N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 52935296) has the molecular formula C17H14ClF3N4O and a molecular weight of 382.77 g/mol. Its IUPAC name is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID52935296
Molecular FormulaC17H14ClF3N4O
Molecular Weight382.77 g/mol
Exact Mass382.08
IUPAC NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ncc(C(F)(F)F)cc3Cl)c(C)nc2c1
InChIInChI=1S/C17H14ClF3N4O/c1-9-3-4-25-14(5-9)24-10(2)15(25)16(26)23-8-13-12(18)6-11(7-22-13)17(19,20)21/h3-7H,8H2,1-2H3,(H,23,26)
InChIKeyMETKHBKAYLOUKZ-UHFFFAOYSA-N
XLogP3.95
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 52935296) is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)NCc3ncc(C(F)(F)F)cc3Cl)c(C)nc2c1.
What is the InChIKey of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is METKHBKAYLOUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O/c1-9-3-4-25-14(5-9)24-10(2)15(25)16(26)23-8-13-12(18)6-11(7-22-13)17(19,20)21/h3-7H,8H2,1-2H3,(H,23,26).
What are the key properties of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 382.77 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 52935296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).