5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine

C18H23ClN4O — CID 143146095

IUPAC5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine
SMILESCCC(CC)N1CNc2nc(-c3ccc(OC)cc3Cl)c(C)nc21
InChIInChI=1S/C18H23ClN4O/c1-5-12(6-2)23-10-20-17-18(23)21-11(3)16(22-17)14-8-7-13(24-4)9-15(14)19/h7-9,12H,5-6,10H2,1-4H3,(H,20,22)
InChIKeyMRASHQDSHRBHCX-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.49
Rot. Bonds5

About 5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine

5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine (PubChem CID 143146095) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine
PubChem CID143146095
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine
SMILESCCC(CC)N1CNc2nc(-c3ccc(OC)cc3Cl)c(C)nc21
InChIInChI=1S/C18H23ClN4O/c1-5-12(6-2)23-10-20-17-18(23)21-11(3)16(22-17)14-8-7-13(24-4)9-15(14)19/h7-9,12H,5-6,10H2,1-4H3,(H,20,22)
InChIKeyMRASHQDSHRBHCX-UHFFFAOYSA-N
XLogP4.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine with MolForge

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Related Compounds

2-(2-chloro-4-methoxyphenyl)-3-ethyl-8-methyl-6-pentan-3-ylimidazo[1,2-a]pyridine
CID 23582662
2-(2-chloro-4-methoxyphenyl)-3-methylpyridine
CID 42624977
8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10386244
8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 22052152
2-(2-chloro-4-methoxyphenyl)-8-methyl-3-methylsulfonyl-6-pentan-3-ylimidazo[1,2-a]pyridine
CID 69062093
7-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-ethyl-1H-imidazo[4,5-d]pyridazine
CID 18516048
2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine
CID 170925653
2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine
CID 69060670
8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine
CID 139991952
6-(2-chloro-4-methoxyphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823608
2-[5-bromo-4-(2-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 84609241
[5-(2-chloro-4-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481633

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine?
The IUPAC name of 5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine (CID 143146095) is 5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine?
The canonical SMILES for 5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine is CCC(CC)N1CNc2nc(-c3ccc(OC)cc3Cl)c(C)nc21.
What is the InChIKey of 5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine?
The InChIKey is MRASHQDSHRBHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-5-12(6-2)23-10-20-17-18(23)21-11(3)16(22-17)14-8-7-13(24-4)9-15(14)19/h7-9,12H,5-6,10H2,1-4H3,(H,20,22).
What are the key properties of 5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine?
5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine has a molecular weight of 346.86 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methoxyphenyl)-6-methyl-1-pentan-3-yl-2,3-dihydroimidazo[4,5-b]pyrazine is sourced from PubChem (CID 143146095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).