2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide

C27H21F4N5O2 — CID 122609259

IUPAC2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)(O)c1cnc2c(NC(=O)c3cc(-c4ccn[nH]4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12
InChIInChI=1S/C27H21F4N5O2/c1-26(2,38)22-14-32-24-23(16(9-11-36(22)24)15-6-4-3-5-7-15)34-25(37)18-12-17(21-8-10-33-35-21)19(13-20(18)28)27(29,30)31/h3-14,38H,1-2H3,(H,33,35)(H,34,37)
InChIKeyBGFHLHHWMUIGDX-UHFFFAOYSA-N
MW523.49 g/mol
LogP6.03
Rot. Bonds5

About 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide

2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 122609259) has the molecular formula C27H21F4N5O2 and a molecular weight of 523.49 g/mol. Its IUPAC name is 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID122609259
Molecular FormulaC27H21F4N5O2
Molecular Weight523.49 g/mol
Exact Mass523.16
IUPAC Name2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)(O)c1cnc2c(NC(=O)c3cc(-c4ccn[nH]4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12
InChIInChI=1S/C27H21F4N5O2/c1-26(2,38)22-14-32-24-23(16(9-11-36(22)24)15-6-4-3-5-7-15)34-25(37)18-12-17(21-8-10-33-35-21)19(13-20(18)28)27(29,30)31/h3-14,38H,1-2H3,(H,33,35)(H,34,37)
InChIKeyBGFHLHHWMUIGDX-UHFFFAOYSA-N
XLogP6.03
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.49
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 122609259) is 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide is CC(C)(O)c1cnc2c(NC(=O)c3cc(-c4ccn[nH]4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12.
What is the InChIKey of 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is BGFHLHHWMUIGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F4N5O2/c1-26(2,38)22-14-32-24-23(16(9-11-36(22)24)15-6-4-3-5-7-15)34-25(37)18-12-17(21-8-10-33-35-21)19(13-20(18)28)27(29,30)31/h3-14,38H,1-2H3,(H,33,35)(H,34,37).
What are the key properties of 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 523.49 g/mol, XLogP of 6.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122609259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).