8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one

C22H16ClN5O — CID 3234267

IUPAC8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCn1cc(-c2nc3cncnc3n(Cc3ccccc3Cl)c2=O)c2ccccc21
InChIInChI=1S/C22H16ClN5O/c1-27-12-16(15-7-3-5-9-19(15)27)20-22(29)28(11-14-6-2-4-8-17(14)23)21-18(26-20)10-24-13-25-21/h2-10,12-13H,11H2,1H3
InChIKeyYKQQODPXVLDDKA-UHFFFAOYSA-N
MW401.86 g/mol
LogP4.05
Rot. Bonds3

About 8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one

8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one (PubChem CID 3234267) has the molecular formula C22H16ClN5O and a molecular weight of 401.86 g/mol. Its IUPAC name is 8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one.

Molecular Properties

Compound Name8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
PubChem CID3234267
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC Name8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCn1cc(-c2nc3cncnc3n(Cc3ccccc3Cl)c2=O)c2ccccc21
InChIInChI=1S/C22H16ClN5O/c1-27-12-16(15-7-3-5-9-19(15)27)20-22(29)28(11-14-6-2-4-8-17(14)23)21-18(26-20)10-24-13-25-21/h2-10,12-13H,11H2,1H3
InChIKeyYKQQODPXVLDDKA-UHFFFAOYSA-N
XLogP4.05
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-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 8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The IUPAC name of 8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one (CID 3234267) is 8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one.
What is the SMILES notation for 8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The canonical SMILES for 8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one is Cn1cc(-c2nc3cncnc3n(Cc3ccccc3Cl)c2=O)c2ccccc21.
What is the InChIKey of 8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The InChIKey is YKQQODPXVLDDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O/c1-27-12-16(15-7-3-5-9-19(15)27)20-22(29)28(11-14-6-2-4-8-17(14)23)21-18(26-20)10-24-13-25-21/h2-10,12-13H,11H2,1H3.
What are the key properties of 8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one has a molecular weight of 401.86 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chlorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one is sourced from PubChem (CID 3234267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).