1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea

C19H17N7O2 — CID 11996253

IUPAC1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc(-n3ncc4c(N)ncnc43)c2)c1
InChIInChI=1S/C19H17N7O2/c1-28-15-7-3-5-13(9-15)25-19(27)24-12-4-2-6-14(8-12)26-18-16(10-23-26)17(20)21-11-22-18/h2-11H,1H3,(H2,20,21,22)(H2,24,25,27)
InChIKeyMVTGHCXWPPHCSN-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.05
Rot. Bonds4

About 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea

1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 11996253) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea
PubChem CID11996253
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc(-n3ncc4c(N)ncnc43)c2)c1
InChIInChI=1S/C19H17N7O2/c1-28-15-7-3-5-13(9-15)25-19(27)24-12-4-2-6-14(8-12)26-18-16(10-23-26)17(20)21-11-22-18/h2-11H,1H3,(H2,20,21,22)(H2,24,25,27)
InChIKeyMVTGHCXWPPHCSN-UHFFFAOYSA-N
XLogP3.05
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157410004
1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea
CID 71575214
1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 11995962
N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 2122954
3-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]aniline
CID 91412413
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192765
2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 18561852
5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea (CID 11996253) is 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cccc(-n3ncc4c(N)ncnc43)c2)c1.
What is the InChIKey of 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is MVTGHCXWPPHCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-28-15-7-3-5-13(9-15)25-19(27)24-12-4-2-6-14(8-12)26-18-16(10-23-26)17(20)21-11-22-18/h2-11H,1H3,(H2,20,21,22)(H2,24,25,27).
What are the key properties of 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea?
1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 375.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 11996253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).