8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine

C21H20N6O — CID 73386970

IUPAC8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(C3CC3)c2n1
InChIInChI=1S/C21H20N6O/c1-27-12-16(11-24-27)14-5-6-17(18(9-14)28-2)25-21-23-10-15-7-8-22-19(13-3-4-13)20(15)26-21/h5-13H,3-4H2,1-2H3,(H,23,25,26)
InChIKeyBQNGELQJIILDMM-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.05
Rot. Bonds5

About 8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine

8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 73386970) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine
PubChem CID73386970
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(C3CC3)c2n1
InChIInChI=1S/C21H20N6O/c1-27-12-16(11-24-27)14-5-6-17(18(9-14)28-2)25-21-23-10-15-7-8-22-19(13-3-4-13)20(15)26-21/h5-13H,3-4H2,1-2H3,(H,23,25,26)
InChIKeyBQNGELQJIILDMM-UHFFFAOYSA-N
XLogP4.05
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine 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 8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine (CID 73386970) is 8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine is COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(C3CC3)c2n1.
What is the InChIKey of 8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is BQNGELQJIILDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-27-12-16(11-24-27)14-5-6-17(18(9-14)28-2)25-21-23-10-15-7-8-22-19(13-3-4-13)20(15)26-21/h5-13H,3-4H2,1-2H3,(H,23,25,26).
What are the key properties of 8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine?
8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 372.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 73386970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).