tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine

C63H64F2N14O6 — CID 159415807

IUPACtert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc([C@@H]5CCCN(C(=O)OC(C)(C)C)C5)n5ccnc(N)c45)cc3)c2)cn1.Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc([C@@H]5CCCNC5)n5ccnc(N)c45)cc3)c2)cn1
InChIInChI=1S/C34H36FN7O4.C29H28FN7O2/c1-21-38-17-22(18-39-21)20-44-27-14-25(35)15-28(16-27)45-26-9-7-23(8-10-26)29-30-31(36)37-11-13-42(30)32(40-29)24-6-5-12-41(19-24)33(43)46-34(2,3)4;1-18-34-14-19(15-35-18)17-38-24-11-22(30)12-25(13-24)39-23-6-4-20(5-7-23)26-27-28(31)33-9-10-37(27)29(36-26)21-3-2-8-32-16-21/h7-11,13-18,24H,5-6,12,19-20H2,1-4H3,(H2,36,37);4-7,9-15,21,32H,2-3,8,16-17H2,1H3,(H2,31,33)/t24-;21-/m11/s1
InChIKeyLPDKRVTYCQJLBB-XDAHSEGUSA-N
MW1151.29 g/mol
LogP11.76
Rot. Bonds14

About tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine

tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 159415807) has the molecular formula C63H64F2N14O6 and a molecular weight of 1151.29 g/mol. Its IUPAC name is tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Nametert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID159415807
Molecular FormulaC63H64F2N14O6
Molecular Weight1151.29 g/mol
Exact Mass1150.51
IUPAC Nametert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc([C@@H]5CCCN(C(=O)OC(C)(C)C)C5)n5ccnc(N)c45)cc3)c2)cn1.Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc([C@@H]5CCCNC5)n5ccnc(N)c45)cc3)c2)cn1
InChIInChI=1S/C34H36FN7O4.C29H28FN7O2/c1-21-38-17-22(18-39-21)20-44-27-14-25(35)15-28(16-27)45-26-9-7-23(8-10-26)29-30-31(36)37-11-13-42(30)32(40-29)24-6-5-12-41(19-24)33(43)46-34(2,3)4;1-18-34-14-19(15-35-18)17-38-24-11-22(30)12-25(13-24)39-23-6-4-20(5-7-23)26-27-28(31)33-9-10-37(27)29(36-26)21-3-2-8-32-16-21/h7-11,13-18,24H,5-6,12,19-20H2,1-4H3,(H2,36,37);4-7,9-15,21,32H,2-3,8,16-17H2,1H3,(H2,31,33)/t24-;21-/m11/s1
InChIKeyLPDKRVTYCQJLBB-XDAHSEGUSA-N
XLogP11.76
TPSA242.47 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001151.29
LogP ≤ 511.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(4-Methoxy-2-phenylmethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 168276718
Tert-butyl 4-[2-[4-methoxy-2-(3-morpholin-4-ylpropoxy)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
CID 168276995
2-[4-Methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 168278411
Tert-butyl 4-[2-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
CID 168286056
1-[4-[3-Fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
CID 118102238
1-[4-[3-Fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 118102239
1-[4-[8-Amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone
CID 118102243
1-[4-[3-Fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyrazin-8-amine
CID 118102245
1-[4-[3-Fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
CID 118102248
1-[4-[3-Fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-(3-methyloxetan-3-yl)imidazo[1,5-a]pyrazin-8-amine
CID 118102249
3-[8-Amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
CID 118102267
1-[4-[3-Fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 118102270

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine (CID 159415807) is tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine is Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc([C@@H]5CCCN(C(=O)OC(C)(C)C)C5)n5ccnc(N)c45)cc3)c2)cn1.Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc([C@@H]5CCCNC5)n5ccnc(N)c45)cc3)c2)cn1.
What is the InChIKey of tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is LPDKRVTYCQJLBB-XDAHSEGUSA-N. The full InChI is InChI=1S/C34H36FN7O4.C29H28FN7O2/c1-21-38-17-22(18-39-21)20-44-27-14-25(35)15-28(16-27)45-26-9-7-23(8-10-26)29-30-31(36)37-11-13-42(30)32(40-29)24-6-5-12-41(19-24)33(43)46-34(2,3)4;1-18-34-14-19(15-35-18)17-38-24-11-22(30)12-25(13-24)39-23-6-4-20(5-7-23)26-27-28(31)33-9-10-37(27)29(36-26)21-3-2-8-32-16-21/h7-11,13-18,24H,5-6,12,19-20H2,1-4H3,(H2,36,37);4-7,9-15,21,32H,2-3,8,16-17H2,1H3,(H2,31,33)/t24-;21-/m11/s1.
What are the key properties of tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1151.29 g/mol, XLogP of 11.76, 14 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 159415807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).