2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine

C19H17Cl2FN4O — CID 165101372

IUPAC2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1nc2nc(Cl)nc(N3CCCCC3)c2cc1Cl
InChIInChI=1S/C19H17Cl2FN4O/c1-27-14-7-5-6-13(22)15(14)16-12(20)10-11-17(23-16)24-19(21)25-18(11)26-8-3-2-4-9-26/h5-7,10H,2-4,8-9H2,1H3
InChIKeyOLSUPTGNIVFAOV-UHFFFAOYSA-N
MW407.28 g/mol
LogP5.14
Rot. Bonds3

About 2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine

2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine (PubChem CID 165101372) has the molecular formula C19H17Cl2FN4O and a molecular weight of 407.28 g/mol. Its IUPAC name is 2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine
PubChem CID165101372
Molecular FormulaC19H17Cl2FN4O
Molecular Weight407.28 g/mol
Exact Mass406.08
IUPAC Name2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1nc2nc(Cl)nc(N3CCCCC3)c2cc1Cl
InChIInChI=1S/C19H17Cl2FN4O/c1-27-14-7-5-6-13(22)15(14)16-12(20)10-11-17(23-16)24-19(21)25-18(11)26-8-3-2-4-9-26/h5-7,10H,2-4,8-9H2,1H3
InChIKeyOLSUPTGNIVFAOV-UHFFFAOYSA-N
XLogP5.14
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.28
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-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

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine?
The IUPAC name of 2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine (CID 165101372) is 2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine is COc1cccc(F)c1-c1nc2nc(Cl)nc(N3CCCCC3)c2cc1Cl.
What is the InChIKey of 2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine?
The InChIKey is OLSUPTGNIVFAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN4O/c1-27-14-7-5-6-13(22)15(14)16-12(20)10-11-17(23-16)24-19(21)25-18(11)26-8-3-2-4-9-26/h5-7,10H,2-4,8-9H2,1H3.
What are the key properties of 2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine?
2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine has a molecular weight of 407.28 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 165101372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).