2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C27H36N6 — CID 78045972

IUPAC2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cccc(C)c1-c1nc2c(c(N3CCCC3C)n1)CN(c1cc(C(C)C)nn1C)CC2
InChIInChI=1S/C27H36N6/c1-17(2)23-15-24(31(6)30-23)32-14-12-22-21(16-32)27(33-13-8-11-20(33)5)29-26(28-22)25-18(3)9-7-10-19(25)4/h7,9-10,15,17,20H,8,11-14,16H2,1-6H3
InChIKeyFEOGQKSUYCNILE-UHFFFAOYSA-N
MW444.63 g/mol
LogP5.17
Rot. Bonds4

About 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 78045972) has the molecular formula C27H36N6 and a molecular weight of 444.63 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID78045972
Molecular FormulaC27H36N6
Molecular Weight444.63 g/mol
Exact Mass444.30
IUPAC Name2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cccc(C)c1-c1nc2c(c(N3CCCC3C)n1)CN(c1cc(C(C)C)nn1C)CC2
InChIInChI=1S/C27H36N6/c1-17(2)23-15-24(31(6)30-23)32-14-12-22-21(16-32)27(33-13-8-11-20(33)5)29-26(28-22)25-18(3)9-7-10-19(25)4/h7,9-10,15,17,20H,8,11-14,16H2,1-6H3
InChIKeyFEOGQKSUYCNILE-UHFFFAOYSA-N
XLogP5.17
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.63
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 78045972) is 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cccc(C)c1-c1nc2c(c(N3CCCC3C)n1)CN(c1cc(C(C)C)nn1C)CC2.
What is the InChIKey of 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is FEOGQKSUYCNILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6/c1-17(2)23-15-24(31(6)30-23)32-14-12-22-21(16-32)27(33-13-8-11-20(33)5)29-26(28-22)25-18(3)9-7-10-19(25)4/h7,9-10,15,17,20H,8,11-14,16H2,1-6H3.
What are the key properties of 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 444.63 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 78045972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).