1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one

C19H19N5O — CID 169130209

IUPAC1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one
SMILESCCC(=O)N1Cc2nc(-c3ccccc3)nc(-c3ccn(C)n3)c2C1
InChIInChI=1S/C19H19N5O/c1-3-17(25)24-11-14-16(12-24)20-19(13-7-5-4-6-8-13)21-18(14)15-9-10-23(2)22-15/h4-10H,3,11-12H2,1-2H3
InChIKeyIUOVFKXSXSCRKR-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.80
Rot. Bonds3

About 1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one

1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one (PubChem CID 169130209) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one
PubChem CID169130209
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one
SMILESCCC(=O)N1Cc2nc(-c3ccccc3)nc(-c3ccn(C)n3)c2C1
InChIInChI=1S/C19H19N5O/c1-3-17(25)24-11-14-16(12-24)20-19(13-7-5-4-6-8-13)21-18(14)15-9-10-23(2)22-15/h4-10H,3,11-12H2,1-2H3
InChIKeyIUOVFKXSXSCRKR-UHFFFAOYSA-N
XLogP2.80
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-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 1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one?
The IUPAC name of 1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one (CID 169130209) is 1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for 1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one is CCC(=O)N1Cc2nc(-c3ccccc3)nc(-c3ccn(C)n3)c2C1.
What is the InChIKey of 1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one?
The InChIKey is IUOVFKXSXSCRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-3-17(25)24-11-14-16(12-24)20-19(13-7-5-4-6-8-13)21-18(14)15-9-10-23(2)22-15/h4-10H,3,11-12H2,1-2H3.
What are the key properties of 1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one?
1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one has a molecular weight of 333.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazol-3-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 169130209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).