2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C27H36N6 — CID 71240426

IUPAC2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cc(N2CCc3nc(-c4c(C)cccc4C)nc(N4CCCC(C)(C)C4)c3C2)n(C)n1
InChIInChI=1S/C27H36N6/c1-18-9-7-10-19(2)24(18)25-28-22-11-14-32(23-15-20(3)30-31(23)6)16-21(22)26(29-25)33-13-8-12-27(4,5)17-33/h7,9-10,15H,8,11-14,16-17H2,1-6H3
InChIKeyMDDPAAWKBVOSME-UHFFFAOYSA-N
MW444.63 g/mol
LogP4.99
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71240426) has the molecular formula C27H36N6 and a molecular weight of 444.63 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71240426
Molecular FormulaC27H36N6
Molecular Weight444.63 g/mol
Exact Mass444.30
IUPAC Name2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cc(N2CCc3nc(-c4c(C)cccc4C)nc(N4CCCC(C)(C)C4)c3C2)n(C)n1
InChIInChI=1S/C27H36N6/c1-18-9-7-10-19(2)24(18)25-28-22-11-14-32(23-15-20(3)30-31(23)6)16-21(22)26(29-25)33-13-8-12-27(4,5)17-33/h7,9-10,15H,8,11-14,16-17H2,1-6H3
InChIKeyMDDPAAWKBVOSME-UHFFFAOYSA-N
XLogP4.99
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.63
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-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-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71240426) is 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cc(N2CCc3nc(-c4c(C)cccc4C)nc(N4CCCC(C)(C)C4)c3C2)n(C)n1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is MDDPAAWKBVOSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6/c1-18-9-7-10-19(2)24(18)25-28-22-11-14-32(23-15-20(3)30-31(23)6)16-21(22)26(29-25)33-13-8-12-27(4,5)17-33/h7,9-10,15H,8,11-14,16-17H2,1-6H3.
What are the key properties of 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 444.63 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2,5-dimethylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71240426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).