6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C23H20ClFN4O2 — CID 147709530

IUPAC6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ncc(C(C)C)c(-n2c(=O)[nH]c(=O)c3cc(Cl)c(-c4ccccc4F)nc32)c1C
InChIInChI=1S/C23H20ClFN4O2/c1-11(2)16-10-26-13(4)12(3)20(16)29-21-15(22(30)28-23(29)31)9-17(24)19(27-21)14-7-5-6-8-18(14)25/h5-11H,1-4H3,(H,28,30,31)
InChIKeyGUKWTFHWFNVGLV-UHFFFAOYSA-N
MW438.89 g/mol
LogP4.67
Rot. Bonds3

About 6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 147709530) has the molecular formula C23H20ClFN4O2 and a molecular weight of 438.89 g/mol. Its IUPAC name is 6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID147709530
Molecular FormulaC23H20ClFN4O2
Molecular Weight438.89 g/mol
Exact Mass438.13
IUPAC Name6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ncc(C(C)C)c(-n2c(=O)[nH]c(=O)c3cc(Cl)c(-c4ccccc4F)nc32)c1C
InChIInChI=1S/C23H20ClFN4O2/c1-11(2)16-10-26-13(4)12(3)20(16)29-21-15(22(30)28-23(29)31)9-17(24)19(27-21)14-7-5-6-8-18(14)25/h5-11H,1-4H3,(H,28,30,31)
InChIKeyGUKWTFHWFNVGLV-UHFFFAOYSA-N
XLogP4.67
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione 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 6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 147709530) is 6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ncc(C(C)C)c(-n2c(=O)[nH]c(=O)c3cc(Cl)c(-c4ccccc4F)nc32)c1C.
What is the InChIKey of 6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GUKWTFHWFNVGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O2/c1-11(2)16-10-26-13(4)12(3)20(16)29-21-15(22(30)28-23(29)31)9-17(24)19(27-21)14-7-5-6-8-18(14)25/h5-11H,1-4H3,(H,28,30,31).
What are the key properties of 6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 438.89 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 147709530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).