1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one

C19H18N4OS — CID 67862560

IUPAC1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCc1csc(N2C(=O)N(C(C)c3cccnc3)Cc3cccnc32)c1
InChIInChI=1S/C19H18N4OS/c1-13-9-17(25-12-13)23-18-16(6-4-8-21-18)11-22(19(23)24)14(2)15-5-3-7-20-10-15/h3-10,12,14H,11H2,1-2H3
InChIKeyDWQAEOVAUMUXHD-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.68
Rot. Bonds3

About 1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one

1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 67862560) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID67862560
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCc1csc(N2C(=O)N(C(C)c3cccnc3)Cc3cccnc32)c1
InChIInChI=1S/C19H18N4OS/c1-13-9-17(25-12-13)23-18-16(6-4-8-21-18)11-22(19(23)24)14(2)15-5-3-7-20-10-15/h3-10,12,14H,11H2,1-2H3
InChIKeyDWQAEOVAUMUXHD-UHFFFAOYSA-N
XLogP4.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-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 1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 67862560) is 1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one is Cc1csc(N2C(=O)N(C(C)c3cccnc3)Cc3cccnc32)c1.
What is the InChIKey of 1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is DWQAEOVAUMUXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-13-9-17(25-12-13)23-18-16(6-4-8-21-18)11-22(19(23)24)14(2)15-5-3-7-20-10-15/h3-10,12,14H,11H2,1-2H3.
What are the key properties of 1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 350.45 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-2-yl)-3-(1-pyridin-3-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 67862560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).