5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one

C26H24ClFN4O2 — CID 166830620

IUPAC5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc([C@H]2C[C@H](c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(Cl)cc4F)n3)CCO2)cn1
InChIInChI=1S/C26H24ClFN4O2/c1-14-4-5-17(13-29-14)23-10-16(8-9-34-23)21-12-22-24(26(33)32(3)15(2)30-22)25(31-21)19-7-6-18(27)11-20(19)28/h4-7,11-13,16,23H,8-10H2,1-3H3/t16-,23-/m1/s1
InChIKeyBCJUQQUPFWHVFU-WAIKUNEKSA-N
MW478.96 g/mol
LogP5.44
Rot. Bonds3

About 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one

5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 166830620) has the molecular formula C26H24ClFN4O2 and a molecular weight of 478.96 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID166830620
Molecular FormulaC26H24ClFN4O2
Molecular Weight478.96 g/mol
Exact Mass478.16
IUPAC Name5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc([C@H]2C[C@H](c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(Cl)cc4F)n3)CCO2)cn1
InChIInChI=1S/C26H24ClFN4O2/c1-14-4-5-17(13-29-14)23-10-16(8-9-34-23)21-12-22-24(26(33)32(3)15(2)30-22)25(31-21)19-7-6-18(27)11-20(19)28/h4-7,11-13,16,23H,8-10H2,1-3H3/t16-,23-/m1/s1
InChIKeyBCJUQQUPFWHVFU-WAIKUNEKSA-N
XLogP5.44
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.96
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-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 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one (CID 166830620) is 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one is Cc1ccc([C@H]2C[C@H](c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(Cl)cc4F)n3)CCO2)cn1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BCJUQQUPFWHVFU-WAIKUNEKSA-N. The full InChI is InChI=1S/C26H24ClFN4O2/c1-14-4-5-17(13-29-14)23-10-16(8-9-34-23)21-12-22-24(26(33)32(3)15(2)30-22)25(31-21)19-7-6-18(27)11-20(19)28/h4-7,11-13,16,23H,8-10H2,1-3H3/t16-,23-/m1/s1.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one?
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 478.96 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 166830620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).