(7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one

C23H26N6O2 — CID 25159290

IUPAC(7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one
SMILESCOc1c(C)cnc(CN2c3nc(N)ncc3N(Cc3ccccc3)C(=O)[C@H]2C)c1C
InChIInChI=1S/C23H26N6O2/c1-14-10-25-18(15(2)20(14)31-4)13-28-16(3)22(30)29(12-17-8-6-5-7-9-17)19-11-26-23(24)27-21(19)28/h5-11,16H,12-13H2,1-4H3,(H2,24,26,27)/t16-/m1/s1
InChIKeyCHQPLEKWAODIFS-MRXNPFEDSA-N
MW418.50 g/mol
LogP3.02
Rot. Bonds5

About (7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one

(7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one (PubChem CID 25159290) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is (7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one
PubChem CID25159290
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name(7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one
SMILESCOc1c(C)cnc(CN2c3nc(N)ncc3N(Cc3ccccc3)C(=O)[C@H]2C)c1C
InChIInChI=1S/C23H26N6O2/c1-14-10-25-18(15(2)20(14)31-4)13-28-16(3)22(30)29(12-17-8-6-5-7-9-17)19-11-26-23(24)27-21(19)28/h5-11,16H,12-13H2,1-4H3,(H2,24,26,27)/t16-/m1/s1
InChIKeyCHQPLEKWAODIFS-MRXNPFEDSA-N
XLogP3.02
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-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 (7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one?
The IUPAC name of (7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one (CID 25159290) is (7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one?
The canonical SMILES for (7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one is COc1c(C)cnc(CN2c3nc(N)ncc3N(Cc3ccccc3)C(=O)[C@H]2C)c1C.
What is the InChIKey of (7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one?
The InChIKey is CHQPLEKWAODIFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-14-10-25-18(15(2)20(14)31-4)13-28-16(3)22(30)29(12-17-8-6-5-7-9-17)19-11-26-23(24)27-21(19)28/h5-11,16H,12-13H2,1-4H3,(H2,24,26,27)/t16-/m1/s1.
What are the key properties of (7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one?
(7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one has a molecular weight of 418.50 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one is sourced from PubChem (CID 25159290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).