N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C28H26FN5O4 — CID 164930106

IUPACN-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3-c3c(O)cccc3F)co2)ccn1
InChIInChI=1S/C28H26FN5O4/c1-16-11-17(8-10-30-16)27-33-22(15-38-27)26(36)32-21-14-34-13-18(7-9-28(2,3)37)31-24(34)12-19(21)25-20(29)5-4-6-23(25)35/h4-6,8,10-15,35,37H,7,9H2,1-3H3,(H,32,36)
InChIKeyAHWWELBUSDLGJZ-UHFFFAOYSA-N
MW515.55 g/mol
LogP5.16
Rot. Bonds7

About N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 164930106) has the molecular formula C28H26FN5O4 and a molecular weight of 515.55 g/mol. Its IUPAC name is N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID164930106
Molecular FormulaC28H26FN5O4
Molecular Weight515.55 g/mol
Exact Mass515.20
IUPAC NameN-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3-c3c(O)cccc3F)co2)ccn1
InChIInChI=1S/C28H26FN5O4/c1-16-11-17(8-10-30-16)27-33-22(15-38-27)26(36)32-21-14-34-13-18(7-9-28(2,3)37)31-24(34)12-19(21)25-20(29)5-4-6-23(25)35/h4-6,8,10-15,35,37H,7,9H2,1-3H3,(H,32,36)
InChIKeyAHWWELBUSDLGJZ-UHFFFAOYSA-N
XLogP5.16
TPSA125.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.55
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 164930106) is N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3-c3c(O)cccc3F)co2)ccn1.
What is the InChIKey of N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is AHWWELBUSDLGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O4/c1-16-11-17(8-10-30-16)27-33-22(15-38-27)26(36)32-21-14-34-13-18(7-9-28(2,3)37)31-24(34)12-19(21)25-20(29)5-4-6-23(25)35/h4-6,8,10-15,35,37H,7,9H2,1-3H3,(H,32,36).
What are the key properties of N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 515.55 g/mol, XLogP of 5.16, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 164930106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).