3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine

C22H22ClN5O — CID 134600610

IUPAC3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
SMILESCOc1c(C(C)c2nc(C)c3c(N)nccn23)cc(Cl)c(C)c1-c1cccnc1
InChIInChI=1S/C22H22ClN5O/c1-12(22-27-14(3)19-21(24)26-8-9-28(19)22)16-10-17(23)13(2)18(20(16)29-4)15-6-5-7-25-11-15/h5-12H,1-4H3,(H2,24,26)
InChIKeyBKYPWKUGVXWCCQ-UHFFFAOYSA-N
MW407.91 g/mol
LogP4.80
Rot. Bonds4

About 3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine

3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 134600610) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is 3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
PubChem CID134600610
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC Name3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
SMILESCOc1c(C(C)c2nc(C)c3c(N)nccn23)cc(Cl)c(C)c1-c1cccnc1
InChIInChI=1S/C22H22ClN5O/c1-12(22-27-14(3)19-21(24)26-8-9-28(19)22)16-10-17(23)13(2)18(20(16)29-4)15-6-5-7-25-11-15/h5-12H,1-4H3,(H2,24,26)
InChIKeyBKYPWKUGVXWCCQ-UHFFFAOYSA-N
XLogP4.80
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine (CID 134600610) is 3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine is COc1c(C(C)c2nc(C)c3c(N)nccn23)cc(Cl)c(C)c1-c1cccnc1.
What is the InChIKey of 3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is BKYPWKUGVXWCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-12(22-27-14(3)19-21(24)26-8-9-28(19)22)16-10-17(23)13(2)18(20(16)29-4)15-6-5-7-25-11-15/h5-12H,1-4H3,(H2,24,26).
What are the key properties of 3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine?
3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 407.91 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 134600610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).