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

C18H16N4OS — CID 67862534

IUPAC1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccsc1N1C(=O)N(Cc2cccnc2)Cc2cccnc21
InChIInChI=1S/C18H16N4OS/c1-13-6-9-24-17(13)22-16-15(5-3-8-20-16)12-21(18(22)23)11-14-4-2-7-19-10-14/h2-10H,11-12H2,1H3
InChIKeyMVJMSZGBGMKUHN-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.12
Rot. Bonds3

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

1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 67862534) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID67862534
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccsc1N1C(=O)N(Cc2cccnc2)Cc2cccnc21
InChIInChI=1S/C18H16N4OS/c1-13-6-9-24-17(13)22-16-15(5-3-8-20-16)12-21(18(22)23)11-14-4-2-7-19-10-14/h2-10H,11-12H2,1H3
InChIKeyMVJMSZGBGMKUHN-UHFFFAOYSA-N
XLogP4.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-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-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 67862534) is 1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one is Cc1ccsc1N1C(=O)N(Cc2cccnc2)Cc2cccnc21.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is MVJMSZGBGMKUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-13-6-9-24-17(13)22-16-15(5-3-8-20-16)12-21(18(22)23)11-14-4-2-7-19-10-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 336.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-3-(pyridin-3-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 67862534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).