3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C52H44N10O — CID 142757474

IUPAC3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC(COCC4CC(c5nc(-c6ccc7ccc(-c8ccccc8)nc7c6)c6c(N)nccn56)C4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C52H44N10O/c53-49-47-45(37-13-11-35-15-17-41(57-43(35)27-37)33-7-3-1-4-8-33)59-51(61(47)21-19-55-49)39-23-31(24-39)29-63-30-32-25-40(26-32)52-60-46(48-50(54)56-20-22-62(48)52)38-14-12-36-16-18-42(58-44(36)28-38)34-9-5-2-6-10-34/h1-22,27-28,31-32,39-40H,23-26,29-30H2,(H2,53,55)(H2,54,56)
InChIKeyCNMWIOWYAIGRKC-UHFFFAOYSA-N
MW824.99 g/mol
LogP10.40
Rot. Bonds10

About 3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 142757474) has the molecular formula C52H44N10O and a molecular weight of 824.99 g/mol. Its IUPAC name is 3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID142757474
Molecular FormulaC52H44N10O
Molecular Weight824.99 g/mol
Exact Mass824.37
IUPAC Name3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC(COCC4CC(c5nc(-c6ccc7ccc(-c8ccccc8)nc7c6)c6c(N)nccn56)C4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C52H44N10O/c53-49-47-45(37-13-11-35-15-17-41(57-43(35)27-37)33-7-3-1-4-8-33)59-51(61(47)21-19-55-49)39-23-31(24-39)29-63-30-32-25-40(26-32)52-60-46(48-50(54)56-20-22-62(48)52)38-14-12-36-16-18-42(58-44(36)28-38)34-9-5-2-6-10-34/h1-22,27-28,31-32,39-40H,23-26,29-30H2,(H2,53,55)(H2,54,56)
InChIKeyCNMWIOWYAIGRKC-UHFFFAOYSA-N
XLogP10.40
TPSA147.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.99
LogP ≤ 510.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

Osi-906
CID 11640390
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
cis-3-(3-(Azetidin-1-ylmethyl)cyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11583459
3-Cyclobutyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11632540
3-[3-(Morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11670378
3-[3-[(Dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11690914
3-Cyclobutyl-1-quinolin-7-ylimidazo[1,5-a]pyrazin-8-ylamine
CID 44451337
3-(3-Morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 44451459
1-(2-Phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 44451470
1-(2-Phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 44451484
3-[3-(Azetidin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 44451494
3-[3-(Dimethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 44451497

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 142757474) is 3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CC(COCC4CC(c5nc(-c6ccc7ccc(-c8ccccc8)nc7c6)c6c(N)nccn56)C4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is CNMWIOWYAIGRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N10O/c53-49-47-45(37-13-11-35-15-17-41(57-43(35)27-37)33-7-3-1-4-8-33)59-51(61(47)21-19-55-49)39-23-31(24-39)29-63-30-32-25-40(26-32)52-60-46(48-50(54)56-20-22-62(48)52)38-14-12-36-16-18-42(58-44(36)28-38)34-9-5-2-6-10-34/h1-22,27-28,31-32,39-40H,23-26,29-30H2,(H2,53,55)(H2,54,56).
What are the key properties of 3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 824.99 g/mol, XLogP of 10.40, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 142757474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).