5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine

C26H17FN6S — CID 145039106

IUPAC5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine
SMILESC=C1C=C(c2ncnc3ncc(-c4cccnc4)c(F)c23)Nc2ccnc(-c3ccc(C)s3)c21
InChIInChI=1S/C26H17FN6S/c1-14-10-19(33-18-7-9-29-25(21(14)18)20-6-5-15(2)34-20)24-22-23(27)17(16-4-3-8-28-11-16)12-30-26(22)32-13-31-24/h3-13,33H,1H2,2H3
InChIKeyUWDJHQGIAKFLEA-UHFFFAOYSA-N
MW464.53 g/mol
LogP6.14
Rot. Bonds3

About 5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine

5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine (PubChem CID 145039106) has the molecular formula C26H17FN6S and a molecular weight of 464.53 g/mol. Its IUPAC name is 5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine
PubChem CID145039106
Molecular FormulaC26H17FN6S
Molecular Weight464.53 g/mol
Exact Mass464.12
IUPAC Name5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine
SMILESC=C1C=C(c2ncnc3ncc(-c4cccnc4)c(F)c23)Nc2ccnc(-c3ccc(C)s3)c21
InChIInChI=1S/C26H17FN6S/c1-14-10-19(33-18-7-9-29-25(21(14)18)20-6-5-15(2)34-20)24-22-23(27)17(16-4-3-8-28-11-16)12-30-26(22)32-13-31-24/h3-13,33H,1H2,2H3
InChIKeyUWDJHQGIAKFLEA-UHFFFAOYSA-N
XLogP6.14
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-Bis-(3-fluoro-4-methyl-phenyl)-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11224573
5,6-Diphenyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11234357
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
CID 24971388
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 164616904
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine
CID 164624174
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
7-Thiophen-3-yl-6-p-tolyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9880031
6-Butyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9900478
7-Thiophen-2-yl-6-p-tolyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9966768
N1-(7-(thiophen-2-yl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10286183

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine?
The IUPAC name of 5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine (CID 145039106) is 5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine is C=C1C=C(c2ncnc3ncc(-c4cccnc4)c(F)c23)Nc2ccnc(-c3ccc(C)s3)c21.
What is the InChIKey of 5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine?
The InChIKey is UWDJHQGIAKFLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN6S/c1-14-10-19(33-18-7-9-29-25(21(14)18)20-6-5-15(2)34-20)24-22-23(27)17(16-4-3-8-28-11-16)12-30-26(22)32-13-31-24/h3-13,33H,1H2,2H3.
What are the key properties of 5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine?
5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine has a molecular weight of 464.53 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-methylidene-5-(5-methylthiophen-2-yl)-1H-1,6-naphthyridin-2-yl]-6-pyridin-3-ylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 145039106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).