N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C28H24F3N5O2 — CID 122609260

IUPACN-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(C(C)(C)O)cnc34)ccc2C(F)(F)F)n1
InChIInChI=1S/C28H24F3N5O2/c1-27(2,38)23-16-32-25-24(19(11-14-36(23)25)17-7-5-4-6-8-17)33-26(37)18-9-10-21(28(29,30)31)20(15-18)22-12-13-35(3)34-22/h4-16,38H,1-3H3,(H,33,37)
InChIKeyBPJOCYDPZFNYSA-UHFFFAOYSA-N
MW519.53 g/mol
LogP5.90
Rot. Bonds5

About N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 122609260) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.53 g/mol. Its IUPAC name is N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID122609260
Molecular FormulaC28H24F3N5O2
Molecular Weight519.53 g/mol
Exact Mass519.19
IUPAC NameN-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(C(C)(C)O)cnc34)ccc2C(F)(F)F)n1
InChIInChI=1S/C28H24F3N5O2/c1-27(2,38)23-16-32-25-24(19(11-14-36(23)25)17-7-5-4-6-8-17)33-26(37)18-9-10-21(28(29,30)31)20(15-18)22-12-13-35(3)34-22/h4-16,38H,1-3H3,(H,33,37)
InChIKeyBPJOCYDPZFNYSA-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-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 122609260) is N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(C(C)(C)O)cnc34)ccc2C(F)(F)F)n1.
What is the InChIKey of N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is BPJOCYDPZFNYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c1-27(2,38)23-16-32-25-24(19(11-14-36(23)25)17-7-5-4-6-8-17)33-26(37)18-9-10-21(28(29,30)31)20(15-18)22-12-13-35(3)34-22/h4-16,38H,1-3H3,(H,33,37).
What are the key properties of N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-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-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122609260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).