4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C23H25N7O3 — CID 137314355

IUPAC4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCC(C)Oc1cccc(CNc2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c1
InChIInChI=1S/C23H25N7O3/c1-13(2)33-17-5-3-4-14(8-17)11-24-19-10-20(26-16-6-7-16)30-21(28-19)15(12-25-30)9-18-22(31)29-23(32)27-18/h3-5,8-10,12-13,16,24,31H,6-7,11H2,1-2H3,(H2,27,29,32)/b15-9+,26-20+
InChIKeyPFSXGXHVMQJXKZ-MJDHMQKCSA-N
MW447.50 g/mol
LogP1.46
Rot. Bonds7

About 4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137314355) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137314355
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCC(C)Oc1cccc(CNc2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c1
InChIInChI=1S/C23H25N7O3/c1-13(2)33-17-5-3-4-14(8-17)11-24-19-10-20(26-16-6-7-16)30-21(28-19)15(12-25-30)9-18-22(31)29-23(32)27-18/h3-5,8-10,12-13,16,24,31H,6-7,11H2,1-2H3,(H2,27,29,32)/b15-9+,26-20+
InChIKeyPFSXGXHVMQJXKZ-MJDHMQKCSA-N
XLogP1.46
TPSA132.69 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137314355) is 4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CC(C)Oc1cccc(CNc2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c1.
What is the InChIKey of 4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is PFSXGXHVMQJXKZ-MJDHMQKCSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-13(2)33-17-5-3-4-14(8-17)11-24-19-10-20(26-16-6-7-16)30-21(28-19)15(12-25-30)9-18-22(31)29-23(32)27-18/h3-5,8-10,12-13,16,24,31H,6-7,11H2,1-2H3,(H2,27,29,32)/b15-9+,26-20+.
What are the key properties of 4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 447.50 g/mol, XLogP of 1.46, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137314355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).