N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine

C24H27N5O — CID 139399714

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCOc1ccc(CCNc2nc(-c3cncc(C)c3)cn3c(C(C)C)ncc23)cc1
InChIInChI=1S/C24H27N5O/c1-16(2)24-27-14-22-23(26-10-9-18-5-7-20(30-4)8-6-18)28-21(15-29(22)24)19-11-17(3)12-25-13-19/h5-8,11-16H,9-10H2,1-4H3,(H,26,28)
InChIKeyLNBZUIJSWGDDRA-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.89
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine

N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 139399714) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
PubChem CID139399714
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCOc1ccc(CCNc2nc(-c3cncc(C)c3)cn3c(C(C)C)ncc23)cc1
InChIInChI=1S/C24H27N5O/c1-16(2)24-27-14-22-23(26-10-9-18-5-7-20(30-4)8-6-18)28-21(15-29(22)24)19-11-17(3)12-25-13-19/h5-8,11-16H,9-10H2,1-4H3,(H,26,28)
InChIKeyLNBZUIJSWGDDRA-UHFFFAOYSA-N
XLogP4.89
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 139399670
5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile
CID 138715499
3-butan-2-yl-N-[2-(1H-indol-3-yl)ethyl]-6-(5-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 157237040
N-[2-(4-methoxyphenyl)ethyl]-4-methylpyridin-2-amine
CID 59643127
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
2-(4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 115374094
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274
5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 61311581
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872053
5-chloro-6-(1-fluoroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982877

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine (CID 139399714) is N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine is COc1ccc(CCNc2nc(-c3cncc(C)c3)cn3c(C(C)C)ncc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is LNBZUIJSWGDDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-16(2)24-27-14-22-23(26-10-9-18-5-7-20(30-4)8-6-18)28-21(15-29(22)24)19-11-17(3)12-25-13-19/h5-8,11-16H,9-10H2,1-4H3,(H,26,28).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 401.51 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 139399714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).