3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine

C91H93N19O — CID 157054651

IUPAC3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCC(NC2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Nc1nccn2c(C3CC(N4CCCCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CC(NC4CCOCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C31H33N7.C30H30N6O.C30H30N6/c1-37-14-11-24(12-15-37)34-25-17-23(18-25)31-36-28(29-30(32)33-13-16-38(29)31)22-8-7-21-9-10-26(35-27(21)19-22)20-5-3-2-4-6-20;31-29-28-27(21-7-6-20-8-9-25(34-26(20)18-21)19-4-2-1-3-5-19)35-30(36(28)13-12-32-29)22-16-24(17-22)33-23-10-14-37-15-11-23;31-29-28-27(22-10-9-21-11-12-25(33-26(21)19-22)20-7-3-1-4-8-20)34-30(36(28)16-13-32-29)23-17-24(18-23)35-14-5-2-6-15-35/h2-10,13,16,19,23-25,34H,11-12,14-15,17-18H2,1H3,(H2,32,33);1-9,12-13,18,22-24,33H,10-11,14-17H2,(H2,31,32);1,3-4,7-13,16,19,23-24H,2,5-6,14-15,17-18H2,(H2,31,32)
InChIKeyAAPNABNSSWDXEM-UHFFFAOYSA-N
MW1468.88 g/mol
LogP16.26
Rot. Bonds14

About 3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine

3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 157054651) has the molecular formula C91H93N19O and a molecular weight of 1468.88 g/mol. Its IUPAC name is 3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID157054651
Molecular FormulaC91H93N19O
Molecular Weight1468.88 g/mol
Exact Mass1467.78
IUPAC Name3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCC(NC2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Nc1nccn2c(C3CC(N4CCCCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CC(NC4CCOCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C31H33N7.C30H30N6O.C30H30N6/c1-37-14-11-24(12-15-37)34-25-17-23(18-25)31-36-28(29-30(32)33-13-16-38(29)31)22-8-7-21-9-10-26(35-27(21)19-22)20-5-3-2-4-6-20;31-29-28-27(21-7-6-20-8-9-25(34-26(20)18-21)19-4-2-1-3-5-19)35-30(36(28)13-12-32-29)22-16-24(17-22)33-23-10-14-37-15-11-23;31-29-28-27(22-10-9-21-11-12-25(33-26(21)19-22)20-7-3-1-4-8-20)34-30(36(28)16-13-32-29)23-17-24(18-23)35-14-5-2-6-15-35/h2-10,13,16,19,23-25,34H,11-12,14-15,17-18H2,1H3,(H2,32,33);1-9,12-13,18,22-24,33H,10-11,14-17H2,(H2,31,32);1,3-4,7-13,16,19,23-24H,2,5-6,14-15,17-18H2,(H2,31,32)
InChIKeyAAPNABNSSWDXEM-UHFFFAOYSA-N
XLogP16.26
TPSA247.07 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.88
LogP ≤ 516.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
3-[3-(Morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11670378
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
(R)-N-(1-Morpholinopropan-2-yl)-6-(8-(pyridin-4-yl)-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)quinolin-2-amine
CID 132587462
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6-(8-pyridin-4-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)quinolin-2-amine
CID 134146432
N-(1-morpholin-4-ylpropan-2-yl)-6-(8-pyridin-4-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)quinolin-2-amine
CID 134149230
4-[5-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 86345486
4-(5-(6-(Piperazin-1-yl)pyridin-3-yl)-2-(1-(quinolin-2-yl)azetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl)morpholine
CID 86345606
2-[(E)-2-[8-(oxan-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline
CID 117728074
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123133251

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine (CID 157054651) is 3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine is CN1CCC(NC2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Nc1nccn2c(C3CC(N4CCCCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CC(NC4CCOCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is AAPNABNSSWDXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7.C30H30N6O.C30H30N6/c1-37-14-11-24(12-15-37)34-25-17-23(18-25)31-36-28(29-30(32)33-13-16-38(29)31)22-8-7-21-9-10-26(35-27(21)19-22)20-5-3-2-4-6-20;31-29-28-27(21-7-6-20-8-9-25(34-26(20)18-21)19-4-2-1-3-5-19)35-30(36(28)13-12-32-29)22-16-24(17-22)33-23-10-14-37-15-11-23;31-29-28-27(22-10-9-21-11-12-25(33-26(21)19-22)20-7-3-1-4-8-20)34-30(36(28)16-13-32-29)23-17-24(18-23)35-14-5-2-6-15-35/h2-10,13,16,19,23-25,34H,11-12,14-15,17-18H2,1H3,(H2,32,33);1-9,12-13,18,22-24,33H,10-11,14-17H2,(H2,31,32);1,3-4,7-13,16,19,23-24H,2,5-6,14-15,17-18H2,(H2,31,32).
What are the key properties of 3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1468.88 g/mol, XLogP of 16.26, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-methylpiperidin-4-yl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(oxan-4-ylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 157054651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).