3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine

C19H17FN6S — CID 146497702

IUPAC3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine
SMILESCSc1cccc(Nc2ncc(C)c(-c3c[nH]c4c(N)nccc34)n2)c1F
InChIInChI=1S/C19H17FN6S/c1-10-8-24-19(25-13-4-3-5-14(27-2)15(13)20)26-16(10)12-9-23-17-11(12)6-7-22-18(17)21/h3-9,23H,1-2H3,(H2,21,22)(H,24,25,26)
InChIKeyCQQUGHVALXZNPT-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.52
Rot. Bonds4

About 3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine

3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine (PubChem CID 146497702) has the molecular formula C19H17FN6S and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine
PubChem CID146497702
Molecular FormulaC19H17FN6S
Molecular Weight380.45 g/mol
Exact Mass380.12
IUPAC Name3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine
SMILESCSc1cccc(Nc2ncc(C)c(-c3c[nH]c4c(N)nccc34)n2)c1F
InChIInChI=1S/C19H17FN6S/c1-10-8-24-19(25-13-4-3-5-14(27-2)15(13)20)26-16(10)12-9-23-17-11(12)6-7-22-18(17)21/h3-9,23H,1-2H3,(H2,21,22)(H,24,25,26)
InChIKeyCQQUGHVALXZNPT-UHFFFAOYSA-N
XLogP4.52
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine 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 3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of 3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine (CID 146497702) is 3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for 3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for 3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine is CSc1cccc(Nc2ncc(C)c(-c3c[nH]c4c(N)nccc34)n2)c1F.
What is the InChIKey of 3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is CQQUGHVALXZNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6S/c1-10-8-24-19(25-13-4-3-5-14(27-2)15(13)20)26-16(10)12-9-23-17-11(12)6-7-22-18(17)21/h3-9,23H,1-2H3,(H2,21,22)(H,24,25,26).
What are the key properties of 3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine?
3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 380.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoro-3-methylsulfanylanilino)-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 146497702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).