tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

C100H100N22O3S — CID 160605505

IUPACtert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)(C)OC(=O)N1CCN(CCNC2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Nc1nccn2c(C3CC(N4CCC(Oc5ncccn5)CC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CC(NCc4cccs4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C36H42N8O2.C34H32N8O.C30H26N6S/c1-36(2,3)46-35(45)43-19-17-42(18-20-43)15-13-38-28-21-27(22-28)34-41-31(32-33(37)39-14-16-44(32)34)26-10-9-25-11-12-29(40-30(25)23-26)24-7-5-4-6-8-24;35-32-31-30(24-8-7-23-9-10-28(39-29(23)21-24)22-5-2-1-3-6-22)40-33(42(31)18-15-36-32)25-19-26(20-25)41-16-11-27(12-17-41)43-34-37-13-4-14-38-34;31-29-28-27(21-9-8-20-10-11-25(34-26(20)17-21)19-5-2-1-3-6-19)35-30(36(28)13-12-32-29)22-15-23(16-22)33-18-24-7-4-14-37-24/h4-12,14,16,23,27-28,38H,13,15,17-22H2,1-3H3,(H2,37,39);1-10,13-15,18,21,25-27H,11-12,16-17,19-20H2,(H2,35,36);1-14,17,22-23,33H,15-16,18H2,(H2,31,32)
InChIKeyREUWTWLVGNZBJD-UHFFFAOYSA-N
MW1690.12 g/mol
LogP17.65
Rot. Bonds19

About tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 160605505) has the molecular formula C100H100N22O3S and a molecular weight of 1690.12 g/mol. Its IUPAC name is tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Nametert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID160605505
Molecular FormulaC100H100N22O3S
Molecular Weight1690.12 g/mol
Exact Mass1688.81
IUPAC Nametert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)(C)OC(=O)N1CCN(CCNC2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Nc1nccn2c(C3CC(N4CCC(Oc5ncccn5)CC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CC(NCc4cccs4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C36H42N8O2.C34H32N8O.C30H26N6S/c1-36(2,3)46-35(45)43-19-17-42(18-20-43)15-13-38-28-21-27(22-28)34-41-31(32-33(37)39-14-16-44(32)34)26-10-9-25-11-12-29(40-30(25)23-26)24-7-5-4-6-8-24;35-32-31-30(24-8-7-23-9-10-28(39-29(23)21-24)22-5-2-1-3-6-22)40-33(42(31)18-15-36-32)25-19-26(20-25)41-16-11-27(12-17-41)43-34-37-13-4-14-38-34;31-29-28-27(21-9-8-20-10-11-25(34-26(20)17-21)19-5-2-1-3-6-19)35-30(36(28)13-12-32-29)22-15-23(16-22)33-18-24-7-4-14-37-24/h4-12,14,16,23,27-28,38H,13,15,17-22H2,1-3H3,(H2,37,39);1-10,13-15,18,21,25-27H,11-12,16-17,19-20H2,(H2,35,36);1-14,17,22-23,33H,15-16,18H2,(H2,31,32)
InChIKeyREUWTWLVGNZBJD-UHFFFAOYSA-N
XLogP17.65
TPSA302.39 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001690.12
LogP ≤ 517.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 58023045
tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate
CID 143495307
1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 143120600
4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]-N,N-dimethylpiperazine-1-carboxamide;(3R)-1-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]pyrrolidin-3-ol;(3S)-1-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]pyrrolidin-3-ol
CID 161145921
1-(2-phenylquinolin-7-yl)-3-[3-(4-sulfanylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 163615088
3-[3-(diethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(dimethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-ethylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 160638646
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(trideuteriomethyl)cyclobutan-1-ol
CID 52915009
3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495204
3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71095809
N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143120644
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol
CID 70905162
2-[4-[3-[8-amino-1-[2-[(3Z,5Z)-hepta-3,5-dien-2-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]acetic acid
CID 89175648

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (CID 160605505) is tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is CC(C)(C)OC(=O)N1CCN(CCNC2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Nc1nccn2c(C3CC(N4CCC(Oc5ncccn5)CC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CC(NCc4cccs4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is REUWTWLVGNZBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N8O2.C34H32N8O.C30H26N6S/c1-36(2,3)46-35(45)43-19-17-42(18-20-43)15-13-38-28-21-27(22-28)34-41-31(32-33(37)39-14-16-44(32)34)26-10-9-25-11-12-29(40-30(25)23-26)24-7-5-4-6-8-24;35-32-31-30(24-8-7-23-9-10-28(39-29(23)21-24)22-5-2-1-3-6-22)40-33(42(31)18-15-36-32)25-19-26(20-25)41-16-11-27(12-17-41)43-34-37-13-4-14-38-34;31-29-28-27(21-9-8-20-10-11-25(34-26(20)17-21)19-5-2-1-3-6-19)35-30(36(28)13-12-32-29)22-15-23(16-22)33-18-24-7-4-14-37-24/h4-12,14,16,23,27-28,38H,13,15,17-22H2,1-3H3,(H2,37,39);1-10,13-15,18,21,25-27H,11-12,16-17,19-20H2,(H2,35,36);1-14,17,22-23,33H,15-16,18H2,(H2,31,32).
What are the key properties of tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1690.12 g/mol, XLogP of 17.65, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 160605505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).