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1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine

C33H36N8 — CID 142538986

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCc1cccc2[nH]c(Cc3ccc(-c4nc(C(C)C)n5c(CN6CCNCC6)cnc(N)c45)c4ccccc34)nc12
InChIInChI=1S/C33H36N8/c1-20(2)33-39-30(31-32(34)36-18-23(41(31)33)19-40-15-13-35-14-16-40)26-12-11-22(24-8-4-5-9-25(24)26)17-28-37-27-10-6-7-21(3)29(27)38-28/h4-12,18,20,35H,13-17,19H2,1-3H3,(H2,34,36)(H,37,38)
InChIKeyABUSUHJSYUAJQM-UHFFFAOYSA-N
MW544.71 g/mol
LogP5.44
Rot. Bonds6

About 1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine

1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 142538986) has the molecular formula C33H36N8 and a molecular weight of 544.71 g/mol. Its IUPAC name is 1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
PubChem CID142538986
Molecular FormulaC33H36N8
Molecular Weight544.71 g/mol
Exact Mass544.31
IUPAC Name1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCc1cccc2[nH]c(Cc3ccc(-c4nc(C(C)C)n5c(CN6CCNCC6)cnc(N)c45)c4ccccc34)nc12
InChIInChI=1S/C33H36N8/c1-20(2)33-39-30(31-32(34)36-18-23(41(31)33)19-40-15-13-35-14-16-40)26-12-11-22(24-8-4-5-9-25(24)26)17-28-37-27-10-6-7-21(3)29(27)38-28/h4-12,18,20,35H,13-17,19H2,1-3H3,(H2,34,36)(H,37,38)
InChIKeyABUSUHJSYUAJQM-UHFFFAOYSA-N
XLogP5.44
TPSA100.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.71
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine (CID 142538986) is 1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine is Cc1cccc2[nH]c(Cc3ccc(-c4nc(C(C)C)n5c(CN6CCNCC6)cnc(N)c45)c4ccccc34)nc12.
What is the InChIKey of 1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ABUSUHJSYUAJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N8/c1-20(2)33-39-30(31-32(34)36-18-23(41(31)33)19-40-15-13-35-14-16-40)26-12-11-22(24-8-4-5-9-25(24)26)17-28-37-27-10-6-7-21(3)29(27)38-28/h4-12,18,20,35H,13-17,19H2,1-3H3,(H2,34,36)(H,37,38).
What are the key properties of 1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 544.71 g/mol, XLogP of 5.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methyl-1H-benzimidazol-2-yl)methyl]naphthalen-1-yl]-5-(piperazin-1-ylmethyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 142538986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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