2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine

C24H32N2O2 — CID 24758076

IUPAC2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
SMILESCCc1cc(OC)c(OC)cc1-c1nn2c(C)cc(C(CC)CC)c2cc1C
InChIInChI=1S/C24H32N2O2/c1-8-17(9-2)19-12-16(5)26-21(19)11-15(4)24(25-26)20-14-23(28-7)22(27-6)13-18(20)10-3/h11-14,17H,8-10H2,1-7H3
InChIKeyRICHLJSCLHQWML-UHFFFAOYSA-N
MW380.53 g/mol
LogP6.10
Rot. Bonds7

About 2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine

2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine (PubChem CID 24758076) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
PubChem CID24758076
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
SMILESCCc1cc(OC)c(OC)cc1-c1nn2c(C)cc(C(CC)CC)c2cc1C
InChIInChI=1S/C24H32N2O2/c1-8-17(9-2)19-12-16(5)26-21(19)11-15(4)24(25-26)20-14-23(28-7)22(27-6)13-18(20)10-3/h11-14,17H,8-10H2,1-7H3
InChIKeyRICHLJSCLHQWML-UHFFFAOYSA-N
XLogP6.10
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Moxaverine
CID 70882
6,7-Dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline
CID 3717793
2-(4-Methoxy-2-methylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
CID 16126888
N,N-bis(cyclopropylmethyl)-2-ethyl-7-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyridin-3-amine
CID 21984613
N,N-bis(cyclopropylmethyl)-2-ethyl-7-(4-methoxy-2,6-dimethylphenyl)pyrazolo[1,5-a]pyridin-3-amine
CID 21984718
2-ethyl-7-(4-methoxy-2-methylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine
CID 21984746
2-(4-Ethoxy-2-ethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
CID 24758073
3,7-Dimethyl-2-(6-methyl-1,3-benzodioxol-5-yl)-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
CID 24758074
2,3-Dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
CID 45483588
2-(3,4-Dimethoxyphenyl)-5-methoxy-1,3-dimethylindole
CID 90680785
2-(3,4-Dimethoxyphenyl)-6-(4-methoxyphenyl)pyridine
CID 90670576
1-Ethyl-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline
CID 767409

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine?
The IUPAC name of 2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine (CID 24758076) is 2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine?
The canonical SMILES for 2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine is CCc1cc(OC)c(OC)cc1-c1nn2c(C)cc(C(CC)CC)c2cc1C.
What is the InChIKey of 2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine?
The InChIKey is RICHLJSCLHQWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-8-17(9-2)19-12-16(5)26-21(19)11-15(4)24(25-26)20-14-23(28-7)22(27-6)13-18(20)10-3/h11-14,17H,8-10H2,1-7H3.
What are the key properties of 2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine?
2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine has a molecular weight of 380.53 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4,5-dimethoxyphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 24758076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).