N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide

C24H21F3N4O2 — CID 23120565

IUPACN-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCc1c(C(C)(C)O)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cn4)cc3)cn12
InChIInChI=1S/C24H21F3N4O2/c1-14-21(23(2,3)33)30-20-11-9-18(13-31(14)20)29-22(32)16-6-4-15(5-7-16)19-10-8-17(12-28-19)24(25,26)27/h4-13,33H,1-3H3,(H,29,32)
InChIKeySUGYQZRGKMTYPH-UHFFFAOYSA-N
MW454.45 g/mol
LogP5.20
Rot. Bonds4

About N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide

N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 23120565) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID23120565
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC NameN-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCc1c(C(C)(C)O)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cn4)cc3)cn12
InChIInChI=1S/C24H21F3N4O2/c1-14-21(23(2,3)33)30-20-11-9-18(13-31(14)20)29-22(32)16-6-4-15(5-7-16)19-10-8-17(12-28-19)24(25,26)27/h4-13,33H,1-3H3,(H,29,32)
InChIKeySUGYQZRGKMTYPH-UHFFFAOYSA-N
XLogP5.20
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide (CID 23120565) is N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide is Cc1c(C(C)(C)O)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cn4)cc3)cn12.
What is the InChIKey of N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is SUGYQZRGKMTYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c1-14-21(23(2,3)33)30-20-11-9-18(13-31(14)20)29-22(32)16-6-4-15(5-7-16)19-10-8-17(12-28-19)24(25,26)27/h4-13,33H,1-3H3,(H,29,32).
What are the key properties of N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 454.45 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 23120565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).