1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea

C24H22N8O — CID 24894620

IUPAC1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1
InChIInChI=1S/C24H22N8O/c1-15-4-3-5-19(10-15)30-24(33)29-18-8-6-16(7-9-18)20-12-26-23-21(13-28-32(23)22(20)25)17-11-27-31(2)14-17/h3-14H,25H2,1-2H3,(H2,29,30,33)
InChIKeyZGDSBEUMPIMXBM-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.33
Rot. Bonds4

About 1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea

1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea (PubChem CID 24894620) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea
PubChem CID24894620
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1
InChIInChI=1S/C24H22N8O/c1-15-4-3-5-19(10-15)30-24(33)29-18-8-6-16(7-9-18)20-12-26-23-21(13-28-32(23)22(20)25)17-11-27-31(2)14-17/h3-14H,25H2,1-2H3,(H2,29,30,33)
InChIKeyZGDSBEUMPIMXBM-UHFFFAOYSA-N
XLogP4.33
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea (CID 24894620) is 1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1.
What is the InChIKey of 1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea?
The InChIKey is ZGDSBEUMPIMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-15-4-3-5-19(10-15)30-24(33)29-18-8-6-16(7-9-18)20-12-26-23-21(13-28-32(23)22(20)25)17-11-27-31(2)14-17/h3-14H,25H2,1-2H3,(H2,29,30,33).
What are the key properties of 1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea?
1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea has a molecular weight of 438.50 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 24894620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).