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

C23H20N6O2S — CID 169231079

IUPAC4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1O[C@@H](C)c1cscn1
InChIInChI=1S/C23H20N6O2S/c1-14(18-11-32-13-26-18)31-23-19(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-/m0/s1
InChIKeyMWQSFEADSANXAE-AWEZNQCLSA-N
MW444.52 g/mol
LogP4.70
Rot. Bonds6

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

4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole (PubChem CID 169231079) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is 4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole
PubChem CID169231079
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC Name4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1O[C@@H](C)c1cscn1
InChIInChI=1S/C23H20N6O2S/c1-14(18-11-32-13-26-18)31-23-19(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-/m0/s1
InChIKeyMWQSFEADSANXAE-AWEZNQCLSA-N
XLogP4.70
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
CID 169231124
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
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
(1R,5S)-6,6-difluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 169231862
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
6,6-difluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 169231482
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-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole?
The IUPAC name of 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) is 4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole.
What is the SMILES notation for 4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole?
The canonical SMILES for 4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1O[C@@H](C)c1cscn1.
What is the InChIKey of 4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole?
The InChIKey is MWQSFEADSANXAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H20N6O2S/c1-14(18-11-32-13-26-18)31-23-19(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-/m0/s1.
What are the key properties of 4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole?
4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole has a molecular weight of 444.52 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole is sourced from PubChem (CID 169231079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).