3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine

C80H71N17O3 — CID 158430693

IUPAC3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCC(=O)N1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CCNCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C28H26N6O.C26H24N6.C26H21N5O2/c1-18(35)33-14-11-21(12-15-33)28-32-25(26-27(29)30-13-16-34(26)28)22-8-7-20-9-10-23(31-24(20)17-22)19-5-3-2-4-6-19;27-25-24-23(31-26(32(24)15-14-29-25)19-10-12-28-13-11-19)20-7-6-18-8-9-21(30-22(18)16-20)17-4-2-1-3-5-17;27-24-23-22(30-25(31(23)11-10-28-24)18-12-19(13-18)26(32)33)17-7-6-16-8-9-20(29-21(16)14-17)15-4-2-1-3-5-15/h2-10,13,16-17,21H,11-12,14-15H2,1H3,(H2,29,30);1-9,14-16,19,28H,10-13H2,(H2,27,29);1-11,14,18-19H,12-13H2,(H2,27,28)(H,32,33)
InChIKeyHBPUGVRHBDTOLU-UHFFFAOYSA-N
MW1318.56 g/mol
LogP14.35
Rot. Bonds10

About 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine

3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 158430693) has the molecular formula C80H71N17O3 and a molecular weight of 1318.56 g/mol. Its IUPAC name is 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
PubChem CID158430693
Molecular FormulaC80H71N17O3
Molecular Weight1318.56 g/mol
Exact Mass1317.59
IUPAC Name3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCC(=O)N1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CCNCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C28H26N6O.C26H24N6.C26H21N5O2/c1-18(35)33-14-11-21(12-15-33)28-32-25(26-27(29)30-13-16-34(26)28)22-8-7-20-9-10-23(31-24(20)17-22)19-5-3-2-4-6-19;27-25-24-23(31-26(32(24)15-14-29-25)19-10-12-28-13-11-19)20-7-6-18-8-9-21(30-22(18)16-20)17-4-2-1-3-5-17;27-24-23-22(30-25(31(23)11-10-28-24)18-12-19(13-18)26(32)33)17-7-6-16-8-9-20(29-21(16)14-17)15-4-2-1-3-5-15/h2-10,13,16-17,21H,11-12,14-15H2,1H3,(H2,29,30);1-9,14-16,19,28H,10-13H2,(H2,27,29);1-11,14,18-19H,12-13H2,(H2,27,28)(H,32,33)
InChIKeyHBPUGVRHBDTOLU-UHFFFAOYSA-N
XLogP14.35
TPSA276.94 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001318.56
LogP ≤ 514.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

(3-aminocyclobutyl)-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-[4-(3-cyclobutyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[3-(methylamino)cyclobutyl]methanone;N-[5-fluoro-4-[2-methyl-3-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 157736445
1-[4-[3-[8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]-2,2,2-trifluoroethanone;1-(8-fluoro-4-methyl-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 157816966
3-[5-[[4-[(3R)-3-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]-3-pyridinyl]piperidine-2,6-dione
CID 168881658
3-[6-[[1-[4-[6-[4-(2-Fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione
CID 168881682
3-[6-[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 168881695
3-[2-[[4-[4-[6-[4-(2-Fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]cyclohexyl]methylamino]-4-pyridinyl]piperidine-2,6-dione
CID 168882121
3-[6-[4-[(3R)-3-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 168882122
3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione
CID 168882186
3-[6-[(3R)-3-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 168882287
3-[6-[[4-[(3R)-3-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]-methylamino]-3-pyridinyl]piperidine-2,6-dione
CID 168882403
3-[6-[4-[3-[6-[4-(2-Fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-[3-(piperidin-1-ylmethyl)cyclobutyl]spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 168882440
3-[6-[4-[(3S)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 168882485

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine (CID 158430693) is 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine is CC(=O)N1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CCNCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is HBPUGVRHBDTOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O.C26H24N6.C26H21N5O2/c1-18(35)33-14-11-21(12-15-33)28-32-25(26-27(29)30-13-16-34(26)28)22-8-7-20-9-10-23(31-24(20)17-22)19-5-3-2-4-6-19;27-25-24-23(31-26(32(24)15-14-29-25)19-10-12-28-13-11-19)20-7-6-18-8-9-21(30-22(18)16-20)17-4-2-1-3-5-17;27-24-23-22(30-25(31(23)11-10-28-24)18-12-19(13-18)26(32)33)17-7-6-16-8-9-20(29-21(16)14-17)15-4-2-1-3-5-15/h2-10,13,16-17,21H,11-12,14-15H2,1H3,(H2,29,30);1-9,14-16,19,28H,10-13H2,(H2,27,29);1-11,14,18-19H,12-13H2,(H2,27,28)(H,32,33).
What are the key properties of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine?
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1318.56 g/mol, XLogP of 14.35, 10 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;1-[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-(2-phenylquinolin-7-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 158430693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).