1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea

C19H20N8O2 — CID 118489443

IUPAC1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
SMILESCC(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(C)n1
InChIInChI=1S/C19H20N8O2/c1-11(2)15-8-16(27(3)26-15)24-19(28)23-12-4-6-13(7-5-12)29-18-14-9-22-25-17(14)20-10-21-18/h4-11H,1-3H3,(H2,23,24,28)(H,20,21,22,25)
InChIKeyNITYEXMLUCMTHS-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.65
Rot. Bonds5

About 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea

1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea (PubChem CID 118489443) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea.

Molecular Properties

Compound Name1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
PubChem CID118489443
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
SMILESCC(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(C)n1
InChIInChI=1S/C19H20N8O2/c1-11(2)15-8-16(27(3)26-15)24-19(28)23-12-4-6-13(7-5-12)29-18-14-9-22-25-17(14)20-10-21-18/h4-11H,1-3H3,(H2,23,24,28)(H,20,21,22,25)
InChIKeyNITYEXMLUCMTHS-UHFFFAOYSA-N
XLogP3.65
TPSA122.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 59394698
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CID 44587530
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394170
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394180
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394364
Sklb-677
CID 92135951
N-(4-{[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl}phenyl)acetamide
CID 11785059
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]urea
CID 162651193
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866545
N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 3139598
N-(4-ethoxyphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
The IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea (CID 118489443) is 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea.
What is the SMILES notation for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
The canonical SMILES for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea is CC(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(C)n1.
What is the InChIKey of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
The InChIKey is NITYEXMLUCMTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-11(2)15-8-16(27(3)26-15)24-19(28)23-12-4-6-13(7-5-12)29-18-14-9-22-25-17(14)20-10-21-18/h4-11H,1-3H3,(H2,23,24,28)(H,20,21,22,25).
What are the key properties of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea has a molecular weight of 392.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea is sourced from PubChem (CID 118489443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).