4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole

C23H20N6O3 — CID 169231983

IUPAC4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1O[C@H](C)c1cocn1
InChIInChI=1S/C23H20N6O3/c1-14(18-11-31-13-26-18)32-23-19(30-3)9-17-22(27-23)21(25-12-24-17)16-10-29(2)28-20(16)15-7-5-4-6-8-15/h4-14H,1-3H3/t14-/m1/s1
InChIKeyHCYSOGAWPJOODR-CQSZACIVSA-N
MW428.45 g/mol
LogP4.23
Rot. Bonds6

About 4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole

4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole (PubChem CID 169231983) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is 4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole
PubChem CID169231983
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1O[C@H](C)c1cocn1
InChIInChI=1S/C23H20N6O3/c1-14(18-11-31-13-26-18)32-23-19(30-3)9-17-22(27-23)21(25-12-24-17)16-10-29(2)28-20(16)15-7-5-4-6-8-15/h4-14H,1-3H3/t14-/m1/s1
InChIKeyHCYSOGAWPJOODR-CQSZACIVSA-N
XLogP4.23
TPSA100.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole
CID 169231079
7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
CID 169231992
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine
CID 169231272
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176837226
(1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
CID 169231868
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-4-(trifluoromethyl)oxane-4-carboxamide
CID 169231024
1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
CID 169231124
3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1-methylpyrrolidine-3-carboxamide
CID 169231937
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 169231987
6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol
CID 169231498
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-5-methyl-1-(trifluoromethyl)pyrazole-4-carboxamide
CID 169231206
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 170163813

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole?
The IUPAC name of 4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole (CID 169231983) is 4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole.
What is the SMILES notation for 4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole?
The canonical SMILES for 4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1O[C@H](C)c1cocn1.
What is the InChIKey of 4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole?
The InChIKey is HCYSOGAWPJOODR-CQSZACIVSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-14(18-11-31-13-26-18)32-23-19(30-3)9-17-22(27-23)21(25-12-24-17)16-10-29(2)28-20(16)15-7-5-4-6-8-15/h4-14H,1-3H3/t14-/m1/s1.
What are the key properties of 4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole?
4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole has a molecular weight of 428.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole is sourced from PubChem (CID 169231983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).