4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one

C25H34N2O2 — CID 152744435

IUPAC4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one
SMILESCCCc1cc(C)c(Oc2nc(C)cc3c2C(C)C(=O)N3C(CC)CC)c(C)c1
InChIInChI=1S/C25H34N2O2/c1-8-11-19-12-15(4)23(16(5)13-19)29-24-22-18(7)25(28)27(20(9-2)10-3)21(22)14-17(6)26-24/h12-14,18,20H,8-11H2,1-7H3
InChIKeyKTCIYFQHVQSUSV-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.39
Rot. Bonds7

About 4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one

4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one (PubChem CID 152744435) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one
PubChem CID152744435
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one
SMILESCCCc1cc(C)c(Oc2nc(C)cc3c2C(C)C(=O)N3C(CC)CC)c(C)c1
InChIInChI=1S/C25H34N2O2/c1-8-11-19-12-15(4)23(16(5)13-19)29-24-22-18(7)25(28)27(20(9-2)10-3)21(22)14-17(6)26-24/h12-14,18,20H,8-11H2,1-7H3
InChIKeyKTCIYFQHVQSUSV-UHFFFAOYSA-N
XLogP6.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dimethyl-1-pentan-3-yl-4-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one
CID 22253373
4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-c]pyridine
CID 22253378
7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one
CID 18386643
5-(4-bromo-2,6-dimethylphenoxy)-4,7-dimethyl-1-pentan-3-yl-2,4-dihydropyrido[4,3-d][1,3]oxazine
CID 18386615
6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one
CID 152744437
4-(3-deuteriopentan-3-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 56980443
5-(4-bromo-2,6-dimethylphenoxy)-4,7-dimethyl-1-pentan-3-yl-2,3-dihydropyrido[3,4-b]pyrazine
CID 18386657
6-methyl-4-pentan-3-yl-8-(2,4,6-trimethylphenoxy)-1,7-naphthyridine
CID 18386670
ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 154682760
6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
CID 86759589
4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine
CID 23216567
7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 18386617

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one (CID 152744435) is 4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one is CCCc1cc(C)c(Oc2nc(C)cc3c2C(C)C(=O)N3C(CC)CC)c(C)c1.
What is the InChIKey of 4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one?
The InChIKey is KTCIYFQHVQSUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-8-11-19-12-15(4)23(16(5)13-19)29-24-22-18(7)25(28)27(20(9-2)10-3)21(22)14-17(6)26-24/h12-14,18,20H,8-11H2,1-7H3.
What are the key properties of 4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one?
4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one has a molecular weight of 394.56 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 152744435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).