1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea

C19H16N6O3 — CID 71575210

IUPAC1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1
InChIInChI=1S/C19H16N6O3/c1-27-15-4-2-3-13(9-15)24-19(26)23-12-5-7-14(8-6-12)28-18-16-10-22-25-17(16)20-11-21-18/h2-11H,1H3,(H2,23,24,26)(H,20,21,22,25)
InChIKeyUKVCFSOPAQDUHB-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.80
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea

1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea (PubChem CID 71575210) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
PubChem CID71575210
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1
InChIInChI=1S/C19H16N6O3/c1-27-15-4-2-3-13(9-15)24-19(26)23-12-5-7-14(8-6-12)28-18-16-10-22-25-17(16)20-11-21-18/h2-11H,1H3,(H2,23,24,26)(H,20,21,22,25)
InChIKeyUKVCFSOPAQDUHB-UHFFFAOYSA-N
XLogP3.80
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea (CID 71575210) is 1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea is COc1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
The InChIKey is UKVCFSOPAQDUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-27-15-4-2-3-13(9-15)24-19(26)23-12-5-7-14(8-6-12)28-18-16-10-22-25-17(16)20-11-21-18/h2-11H,1H3,(H2,23,24,26)(H,20,21,22,25).
What are the key properties of 1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea has a molecular weight of 376.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea is sourced from PubChem (CID 71575210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).