1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one

C102H95F5N24O9 — CID 159337894

IUPAC1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)nc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(F)cc3)nc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(F)cn3)cc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(OC)cc3)nc2)c2c(N)nccn12
InChIInChI=1S/C26H23F3N6O2.C26H26N6O3.2C25H23FN6O2/c1-2-21(36)34-12-3-4-19(34)25-33-22(23-24(30)31-11-13-35(23)25)17-7-10-20(32-14-17)37-15-16-5-8-18(9-6-16)26(27,28)29;1-3-22(33)31-13-4-5-20(31)26-30-23(24-25(27)28-12-14-32(24)26)18-8-11-21(29-15-18)35-16-17-6-9-19(34-2)10-7-17;1-2-21(33)31-12-3-4-20(31)25-30-22(23-24(27)28-11-13-32(23)25)16-5-9-19(10-6-16)34-15-18-8-7-17(26)14-29-18;1-2-21(33)31-12-3-4-19(31)25-30-22(23-24(27)28-11-13-32(23)25)17-7-10-20(29-14-17)34-15-16-5-8-18(26)9-6-16/h2,5-11,13-14,19H,1,3-4,12,15H2,(H2,30,31);3,6-12,14-15,20H,1,4-5,13,16H2,2H3,(H2,27,28);2,5-11,13-14,20H,1,3-4,12,15H2,(H2,27,28);2,5-11,13-14,19H,1,3-4,12,15H2,(H2,27,28)/t19-;2*20-;19-/m0000/s1
InChIKeyLFTUHZKERKQTDD-JNSQPVKKSA-N
MW1896.03 g/mol
LogP16.51
Rot. Bonds25

About 1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one

1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 159337894) has the molecular formula C102H95F5N24O9 and a molecular weight of 1896.03 g/mol. Its IUPAC name is 1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID159337894
Molecular FormulaC102H95F5N24O9
Molecular Weight1896.03 g/mol
Exact Mass1894.76
IUPAC Name1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)nc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(F)cc3)nc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(F)cn3)cc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(OC)cc3)nc2)c2c(N)nccn12
InChIInChI=1S/C26H23F3N6O2.C26H26N6O3.2C25H23FN6O2/c1-2-21(36)34-12-3-4-19(34)25-33-22(23-24(30)31-11-13-35(23)25)17-7-10-20(32-14-17)37-15-16-5-8-18(9-6-16)26(27,28)29;1-3-22(33)31-13-4-5-20(31)26-30-23(24-25(27)28-12-14-32(24)26)18-8-11-21(29-15-18)35-16-17-6-9-19(34-2)10-7-17;1-2-21(33)31-12-3-4-20(31)25-30-22(23-24(27)28-11-13-32(23)25)16-5-9-19(10-6-16)34-15-18-8-7-17(26)14-29-18;1-2-21(33)31-12-3-4-19(31)25-30-22(23-24(27)28-11-13-32(23)25)17-7-10-20(29-14-17)34-15-16-5-8-18(26)9-6-16/h2,5-11,13-14,19H,1,3-4,12,15H2,(H2,30,31);3,6-12,14-15,20H,1,4-5,13,16H2,2H3,(H2,27,28);2,5-11,13-14,20H,1,3-4,12,15H2,(H2,27,28);2,5-11,13-14,19H,1,3-4,12,15H2,(H2,27,28)/t19-;2*20-;19-/m0000/s1
InChIKeyLFTUHZKERKQTDD-JNSQPVKKSA-N
XLogP16.51
TPSA403.79 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001896.03
LogP ≤ 516.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 135234669
1-[(2S)-2-[8-amino-1-[4-[[5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 135234690
1-[(2S)-2-[8-amino-1-[4-[[5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 135234695
(Z)-2-[(3R)-3-[8-amino-1-(2-fluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]-4-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-4-methylpent-2-enenitrile
CID 135362302
2-[3-[8-amino-1-(2-fluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]-4-methyl-4-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)pent-2-enenitrile
CID 135362304
2-[(3R)-3-[8-amino-1-(2-fluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]-4-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-4-methylpent-2-enenitrile
CID 140930538
2-[(3R)-3-[8-amino-1-(2-fluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]-4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-4-methylpent-2-enenitrile
CID 140930563
2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one
CID 143306634
1-[(3R)-3-[1-[4-[2-fluoro-5-[(Z)-3-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-oxoprop-1-enyl]-3-methoxyphenoxy]phenyl]-5-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 156119819
1-[(3R)-3-[1-[4-[2-fluoro-5-[(Z)-3-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-oxoprop-1-enyl]-3-methoxyphenoxy]phenyl]-5-methoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 156119820
1-[4-[6-(1,1-Difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;bis(3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine);3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
CID 157071658
1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(fluoromethyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 157127164

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one (CID 159337894) is 1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)nc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(F)cc3)nc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(F)cn3)cc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(OC)cc3)nc2)c2c(N)nccn12.
What is the InChIKey of 1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is LFTUHZKERKQTDD-JNSQPVKKSA-N. The full InChI is InChI=1S/C26H23F3N6O2.C26H26N6O3.2C25H23FN6O2/c1-2-21(36)34-12-3-4-19(34)25-33-22(23-24(30)31-11-13-35(23)25)17-7-10-20(32-14-17)37-15-16-5-8-18(9-6-16)26(27,28)29;1-3-22(33)31-13-4-5-20(31)26-30-23(24-25(27)28-12-14-32(24)26)18-8-11-21(29-15-18)35-16-17-6-9-19(34-2)10-7-17;1-2-21(33)31-12-3-4-20(31)25-30-22(23-24(27)28-11-13-32(23)25)16-5-9-19(10-6-16)34-15-18-8-7-17(26)14-29-18;1-2-21(33)31-12-3-4-19(31)25-30-22(23-24(27)28-11-13-32(23)25)17-7-10-20(29-14-17)34-15-16-5-8-18(26)9-6-16/h2,5-11,13-14,19H,1,3-4,12,15H2,(H2,30,31);3,6-12,14-15,20H,1,4-5,13,16H2,2H3,(H2,27,28);2,5-11,13-14,20H,1,3-4,12,15H2,(H2,27,28);2,5-11,13-14,19H,1,3-4,12,15H2,(H2,27,28)/t19-;2*20-;19-/m0000/s1.
What are the key properties of 1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one?
1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 1896.03 g/mol, XLogP of 16.51, 25 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159337894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).