6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol

C25H22N6O2 — CID 169231498

IUPAC6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol
SMILESCOc1ccc(CNc2nc3c(-c4cn(C)nc4-c4ccccc4)ncnc3cc2O)cc1
InChIInChI=1S/C25H22N6O2/c1-31-14-19(22(30-31)17-6-4-3-5-7-17)23-24-20(27-15-28-23)12-21(32)25(29-24)26-13-16-8-10-18(33-2)11-9-16/h3-12,14-15,32H,13H2,1-2H3,(H,26,29)
InChIKeyWLYUFFLZBGSSPZ-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.42
Rot. Bonds6

About 6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol

6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol (PubChem CID 169231498) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol
PubChem CID169231498
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol
SMILESCOc1ccc(CNc2nc3c(-c4cn(C)nc4-c4ccccc4)ncnc3cc2O)cc1
InChIInChI=1S/C25H22N6O2/c1-31-14-19(22(30-31)17-6-4-3-5-7-17)23-24-20(27-15-28-23)12-21(32)25(29-24)26-13-16-8-10-18(33-2)11-9-16/h3-12,14-15,32H,13H2,1-2H3,(H,26,29)
InChIKeyWLYUFFLZBGSSPZ-UHFFFAOYSA-N
XLogP4.42
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol?
The IUPAC name of 6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol (CID 169231498) is 6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol?
The canonical SMILES for 6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol is COc1ccc(CNc2nc3c(-c4cn(C)nc4-c4ccccc4)ncnc3cc2O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol?
The InChIKey is WLYUFFLZBGSSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-31-14-19(22(30-31)17-6-4-3-5-7-17)23-24-20(27-15-28-23)12-21(32)25(29-24)26-13-16-8-10-18(33-2)11-9-16/h3-12,14-15,32H,13H2,1-2H3,(H,26,29).
What are the key properties of 6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol?
6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol has a molecular weight of 438.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol is sourced from PubChem (CID 169231498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).