7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine

C28H28ClN7 — CID 66676921

IUPAC7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine
SMILESCN(C)CC1CC(c2nc(-c3cc4nc(Nc5ccccc5)ccc4cc3Cl)c3c(N)nccn23)C1
InChIInChI=1S/C28H28ClN7/c1-35(2)16-17-12-19(13-17)28-34-25(26-27(30)31-10-11-36(26)28)21-15-23-18(14-22(21)29)8-9-24(33-23)32-20-6-4-3-5-7-20/h3-11,14-15,17,19H,12-13,16H2,1-2H3,(H2,30,31)(H,32,33)
InChIKeyDTMIYTTUOBAICS-UHFFFAOYSA-N
MW498.03 g/mol
LogP5.98
Rot. Bonds6

About 7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine

7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine (PubChem CID 66676921) has the molecular formula C28H28ClN7 and a molecular weight of 498.03 g/mol. Its IUPAC name is 7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine.

Molecular Properties

Compound Name7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine
PubChem CID66676921
Molecular FormulaC28H28ClN7
Molecular Weight498.03 g/mol
Exact Mass497.21
IUPAC Name7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine
SMILESCN(C)CC1CC(c2nc(-c3cc4nc(Nc5ccccc5)ccc4cc3Cl)c3c(N)nccn23)C1
InChIInChI=1S/C28H28ClN7/c1-35(2)16-17-12-19(13-17)28-34-25(26-27(30)31-10-11-36(26)28)21-15-23-18(14-22(21)29)8-9-24(33-23)32-20-6-4-3-5-7-20/h3-11,14-15,17,19H,12-13,16H2,1-2H3,(H2,30,31)(H,32,33)
InChIKeyDTMIYTTUOBAICS-UHFFFAOYSA-N
XLogP5.98
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.03
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine?
The IUPAC name of 7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine (CID 66676921) is 7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine.
What is the SMILES notation for 7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine?
The canonical SMILES for 7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine is CN(C)CC1CC(c2nc(-c3cc4nc(Nc5ccccc5)ccc4cc3Cl)c3c(N)nccn23)C1.
What is the InChIKey of 7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine?
The InChIKey is DTMIYTTUOBAICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN7/c1-35(2)16-17-12-19(13-17)28-34-25(26-27(30)31-10-11-36(26)28)21-15-23-18(14-22(21)29)8-9-24(33-23)32-20-6-4-3-5-7-20/h3-11,14-15,17,19H,12-13,16H2,1-2H3,(H2,30,31)(H,32,33).
What are the key properties of 7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine?
7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine has a molecular weight of 498.03 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-amino-3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-6-chloro-N-phenylquinolin-2-amine is sourced from PubChem (CID 66676921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).