3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C33H37N7O — CID 71763376

IUPAC3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)Oc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(N5CCN(C)CC5)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C33H37N7O/c1-21(2)41-29-20-27(22-7-5-4-6-8-22)36-28-19-23(9-10-26(28)29)30-31-32(34)35-11-12-40(31)33(37-30)24-17-25(18-24)39-15-13-38(3)14-16-39/h4-12,19-21,24-25H,13-18H2,1-3H3,(H2,34,35)
InChIKeyFGZQONJGCDQJHT-UHFFFAOYSA-N
MW547.71 g/mol
LogP5.47
Rot. Bonds6

About 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 71763376) has the molecular formula C33H37N7O and a molecular weight of 547.71 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID71763376
Molecular FormulaC33H37N7O
Molecular Weight547.71 g/mol
Exact Mass547.31
IUPAC Name3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)Oc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(N5CCN(C)CC5)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C33H37N7O/c1-21(2)41-29-20-27(22-7-5-4-6-8-22)36-28-19-23(9-10-26(28)29)30-31-32(34)35-11-12-40(31)33(37-30)24-17-25(18-24)39-15-13-38(3)14-16-39/h4-12,19-21,24-25H,13-18H2,1-3H3,(H2,34,35)
InChIKeyFGZQONJGCDQJHT-UHFFFAOYSA-N
XLogP5.47
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.71
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,2-d][1,4]oxazine
CID 46900150
2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900451
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900455
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,5-d][1,4]oxazine
CID 46900457
3-[8-Amino-1-(4-ethoxy-8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 71763140
4-([1,1'-Biphenyl]-4-ylmethylamino)-7-((1-(2-(quinolin-4-ylamino)ethyl) piperidin-4-yl)methoxy)quinazoline
CID 117968550
3-[8-Amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 71762923
3-[8-Amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 71762924
8-ethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
CID 663751

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 71763376) is 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is CC(C)Oc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(N5CCN(C)CC5)C4)n4ccnc(N)c34)ccc12.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is FGZQONJGCDQJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N7O/c1-21(2)41-29-20-27(22-7-5-4-6-8-22)36-28-19-23(9-10-26(28)29)30-31-32(34)35-11-12-40(31)33(37-30)24-17-25(18-24)39-15-13-38(3)14-16-39/h4-12,19-21,24-25H,13-18H2,1-3H3,(H2,34,35).
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 547.71 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 71763376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).