N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide

C20H18F3N3O — CID 42694207

IUPACN-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)C1CCCC1
InChIInChI=1S/C20H18F3N3O/c21-20(22,23)15-10-8-13(9-11-15)17-18(25-19(27)14-5-1-2-6-14)26-12-4-3-7-16(26)24-17/h3-4,7-12,14H,1-2,5-6H2,(H,25,27)
InChIKeyHOQFGTQOOOTNNC-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.15
Rot. Bonds3

About N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide

N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide (PubChem CID 42694207) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
PubChem CID42694207
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)C1CCCC1
InChIInChI=1S/C20H18F3N3O/c21-20(22,23)15-10-8-13(9-11-15)17-18(25-19(27)14-5-1-2-6-14)26-12-4-3-7-16(26)24-17/h3-4,7-12,14H,1-2,5-6H2,(H,25,27)
InChIKeyHOQFGTQOOOTNNC-UHFFFAOYSA-N
XLogP5.15
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide (CID 42694207) is N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide is O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)C1CCCC1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide?
The InChIKey is HOQFGTQOOOTNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c21-20(22,23)15-10-8-13(9-11-15)17-18(25-19(27)14-5-1-2-6-14)26-12-4-3-7-16(26)24-17/h3-4,7-12,14H,1-2,5-6H2,(H,25,27).
What are the key properties of N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide?
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide has a molecular weight of 373.38 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 42694207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).