8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine

C19H23FN4 — CID 124967932

IUPAC8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1nc([C@@H]2CCCN2)nc2c1CCCN2Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN4/c1-13-16-4-3-11-24(12-14-6-8-15(20)9-7-14)19(16)23-18(22-13)17-5-2-10-21-17/h6-9,17,21H,2-5,10-12H2,1H3/t17-/m0/s1
InChIKeyIWYFHYNAALKZEI-KRWDZBQOSA-N
MW326.42 g/mol
LogP3.30
Rot. Bonds3

About 8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine

8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine (PubChem CID 124967932) has the molecular formula C19H23FN4 and a molecular weight of 326.42 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
PubChem CID124967932
Molecular FormulaC19H23FN4
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Name8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1nc([C@@H]2CCCN2)nc2c1CCCN2Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN4/c1-13-16-4-3-11-24(12-14-6-8-15(20)9-7-14)19(16)23-18(22-13)17-5-2-10-21-17/h6-9,17,21H,2-5,10-12H2,1H3/t17-/m0/s1
InChIKeyIWYFHYNAALKZEI-KRWDZBQOSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[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 8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine (CID 124967932) is 8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine is Cc1nc([C@@H]2CCCN2)nc2c1CCCN2Cc1ccc(F)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The InChIKey is IWYFHYNAALKZEI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23FN4/c1-13-16-4-3-11-24(12-14-6-8-15(20)9-7-14)19(16)23-18(22-13)17-5-2-10-21-17/h6-9,17,21H,2-5,10-12H2,1H3/t17-/m0/s1.
What are the key properties of 8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine has a molecular weight of 326.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 124967932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).