1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea

C20H18N6O3 — CID 71575214

IUPAC1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Oc3ncnc4c3cnn4C)cc2)c1
InChIInChI=1S/C20H18N6O3/c1-26-18-17(11-23-26)19(22-12-21-18)29-15-8-6-13(7-9-15)24-20(27)25-14-4-3-5-16(10-14)28-2/h3-12H,1-2H3,(H2,24,25,27)
InChIKeySFXJOPJCHZOWAT-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.81
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea

1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea (PubChem CID 71575214) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea
PubChem CID71575214
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Oc3ncnc4c3cnn4C)cc2)c1
InChIInChI=1S/C20H18N6O3/c1-26-18-17(11-23-26)19(22-12-21-18)29-15-8-6-13(7-9-15)24-20(27)25-14-4-3-5-16(10-14)28-2/h3-12H,1-2H3,(H2,24,25,27)
InChIKeySFXJOPJCHZOWAT-UHFFFAOYSA-N
XLogP3.81
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine
CID 154460653
2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 86915928
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 11996253
[3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 79868827
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 17442118
1-(3-methoxyphenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea
CID 73332805
4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11437948
1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 71575544
1-(3-methylphenyl)-3-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]urea
CID 52941625
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea (CID 71575214) is 1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea is COc1cccc(NC(=O)Nc2ccc(Oc3ncnc4c3cnn4C)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea?
The InChIKey is SFXJOPJCHZOWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-26-18-17(11-23-26)19(22-12-21-18)29-15-8-6-13(7-9-15)24-20(27)25-14-4-3-5-16(10-14)28-2/h3-12H,1-2H3,(H2,24,25,27).
What are the key properties of 1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea?
1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea has a molecular weight of 390.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 71575214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).