N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C25H22N6O3 — CID 170361566

IUPACN-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cn4cc(C(C)(C)O)nc4nc3-c3ccccc3)co2)ccn1
InChIInChI=1S/C25H22N6O3/c1-15-11-17(9-10-26-15)23-28-19(14-34-23)22(32)27-18-12-31-13-20(25(2,3)33)29-24(31)30-21(18)16-7-5-4-6-8-16/h4-14,33H,1-3H3,(H,27,32)
InChIKeyXCGJCZJRLYHKNA-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.23
Rot. Bonds5

About N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 170361566) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID170361566
Molecular FormulaC25H22N6O3
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC NameN-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cn4cc(C(C)(C)O)nc4nc3-c3ccccc3)co2)ccn1
InChIInChI=1S/C25H22N6O3/c1-15-11-17(9-10-26-15)23-28-19(14-34-23)22(32)27-18-12-31-13-20(25(2,3)33)29-24(31)30-21(18)16-7-5-4-6-8-16/h4-14,33H,1-3H3,(H,27,32)
InChIKeyXCGJCZJRLYHKNA-UHFFFAOYSA-N
XLogP4.23
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 170361614
N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 155483924
2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154998218
N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 176724064
N-[6-(cyclohexylamino)-2-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 144883766
N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
CID 158415687
2-(2-methyl-4-pyridinyl)-N-[2-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 118224336
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 146599170
N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
CID 161237860
N-[4-amino-5-(methyliminomethyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 138457202
N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226651
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 170240031

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 170361566) is N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cn4cc(C(C)(C)O)nc4nc3-c3ccccc3)co2)ccn1.
What is the InChIKey of N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XCGJCZJRLYHKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3/c1-15-11-17(9-10-26-15)23-28-19(14-34-23)22(32)27-18-12-31-13-20(25(2,3)33)29-24(31)30-21(18)16-7-5-4-6-8-16/h4-14,33H,1-3H3,(H,27,32).
What are the key properties of N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170361566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).