N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

C26H22F3N3O2 — CID 45270147

IUPACN-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(O)c1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn12
InChIInChI=1S/C26H22F3N3O2/c1-15(33)24-23(18-4-5-18)31-22-13-12-21(14-32(22)24)30-25(34)19-6-2-16(3-7-19)17-8-10-20(11-9-17)26(27,28)29/h2-3,6-15,18,33H,4-5H2,1H3,(H,30,34)
InChIKeyDQHIOOGYMMTCIA-UHFFFAOYSA-N
MW465.48 g/mol
LogP6.20
Rot. Bonds5

About N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 45270147) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID45270147
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC NameN-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(O)c1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn12
InChIInChI=1S/C26H22F3N3O2/c1-15(33)24-23(18-4-5-18)31-22-13-12-21(14-32(22)24)30-25(34)19-6-2-16(3-7-19)17-8-10-20(11-9-17)26(27,28)29/h2-3,6-15,18,33H,4-5H2,1H3,(H,30,34)
InChIKeyDQHIOOGYMMTCIA-UHFFFAOYSA-N
XLogP6.20
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 45270147) is N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is CC(O)c1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn12.
What is the InChIKey of N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DQHIOOGYMMTCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c1-15(33)24-23(18-4-5-18)31-22-13-12-21(14-32(22)24)30-25(34)19-6-2-16(3-7-19)17-8-10-20(11-9-17)26(27,28)29/h2-3,6-15,18,33H,4-5H2,1H3,(H,30,34).
What are the key properties of N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 465.48 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 45270147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).