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

C28H24F3N5O2 — CID 122604082

IUPACN-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccc4nc(C(C)(C)O)cn34)ccc2C(F)(F)F)n1
InChIInChI=1S/C28H24F3N5O2/c1-27(2,38)23-16-36-24(32-23)12-10-19(17-7-5-4-6-8-17)25(36)33-26(37)18-9-11-21(28(29,30)31)20(15-18)22-13-14-35(3)34-22/h4-16,38H,1-3H3,(H,33,37)
InChIKeyQKDDJOUFSJPELD-UHFFFAOYSA-N
MW519.53 g/mol
LogP5.90
Rot. Bonds5

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

N-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 122604082) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.53 g/mol. Its IUPAC name is N-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID122604082
Molecular FormulaC28H24F3N5O2
Molecular Weight519.53 g/mol
Exact Mass519.19
IUPAC NameN-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccc4nc(C(C)(C)O)cn34)ccc2C(F)(F)F)n1
InChIInChI=1S/C28H24F3N5O2/c1-27(2,38)23-16-36-24(32-23)12-10-19(17-7-5-4-6-8-17)25(36)33-26(37)18-9-11-21(28(29,30)31)20(15-18)22-13-14-35(3)34-22/h4-16,38H,1-3H3,(H,33,37)
InChIKeyQKDDJOUFSJPELD-UHFFFAOYSA-N
XLogP5.90
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 122604082) is N-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccc4nc(C(C)(C)O)cn34)ccc2C(F)(F)F)n1.
What is the InChIKey of N-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is QKDDJOUFSJPELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c1-27(2,38)23-16-36-24(32-23)12-10-19(17-7-5-4-6-8-17)25(36)33-26(37)18-9-11-21(28(29,30)31)20(15-18)22-13-14-35(3)34-22/h4-16,38H,1-3H3,(H,33,37).
What are the key properties of N-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 519.53 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122604082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).