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

C29H28FN5O4 — CID 164930116

IUPACN-[7-(2-fluoro-6-methoxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(F)c1-c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1
InChIInChI=1S/C29H28FN5O4/c1-17-12-18(9-11-31-17)28-34-23(16-39-28)27(36)33-22-15-35-14-19(8-10-29(2,3)37)32-25(35)13-20(22)26-21(30)6-5-7-24(26)38-4/h5-7,9,11-16,37H,8,10H2,1-4H3,(H,33,36)
InChIKeyQOSUDHZPQHTMMR-UHFFFAOYSA-N
MW529.57 g/mol
LogP5.46
Rot. Bonds8

About N-[7-(2-fluoro-6-methoxyphenyl)-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-methoxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 164930116) has the molecular formula C29H28FN5O4 and a molecular weight of 529.57 g/mol. Its IUPAC name is N-[7-(2-fluoro-6-methoxyphenyl)-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-methoxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID164930116
Molecular FormulaC29H28FN5O4
Molecular Weight529.57 g/mol
Exact Mass529.21
IUPAC NameN-[7-(2-fluoro-6-methoxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(F)c1-c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1
InChIInChI=1S/C29H28FN5O4/c1-17-12-18(9-11-31-17)28-34-23(16-39-28)27(36)33-22-15-35-14-19(8-10-29(2,3)37)32-25(35)13-20(22)26-21(30)6-5-7-24(26)38-4/h5-7,9,11-16,37H,8,10H2,1-4H3,(H,33,36)
InChIKeyQOSUDHZPQHTMMR-UHFFFAOYSA-N
XLogP5.46
TPSA114.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.57
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[7-(2-fluoro-6-methoxyphenyl)-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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Related Compounds

Emavusertib
CID 118224491
1-ethyl-N-(4-ethyl-1,3-oxazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 164614889
1-ethyl-N-(5-ethyl-1,3-oxazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 164627154
N-[4-fluoro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-3-carboxamide
CID 72205263
5-[8-(4-Morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-3-carboxamide
CID 57402741
N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 91824142
2-(2-methoxy-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 118224150
N-[5-(3-fluoropiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118224310
N-[5-(4-fluoropiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118224353
2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 118224356
N-[5-(4-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118224418
N-[5-[(3R)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118224483

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-fluoro-6-methoxyphenyl)-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-methoxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 164930116) is N-[7-(2-fluoro-6-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is COc1cccc(F)c1-c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1.
What is the InChIKey of N-[7-(2-fluoro-6-methoxyphenyl)-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 QOSUDHZPQHTMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O4/c1-17-12-18(9-11-31-17)28-34-23(16-39-28)27(36)33-22-15-35-14-19(8-10-29(2,3)37)32-25(35)13-20(22)26-21(30)6-5-7-24(26)38-4/h5-7,9,11-16,37H,8,10H2,1-4H3,(H,33,36).
What are the key properties of N-[7-(2-fluoro-6-methoxyphenyl)-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-methoxyphenyl)-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 529.57 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-fluoro-6-methoxyphenyl)-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 164930116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).