5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

C73H86Cl2F4N16O7 — CID 158294869

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)c1c(F)ccc(C(C)c2nc(C)c3c(N)nccn23)c1OC(C)C.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCCN(C)C)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)Nc3ccc(F)cc3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C25H24ClF2N5O2.C25H32FN5O3.C23H30ClFN6O2/c1-12(2)35-22-17(13(3)24-31-14(4)21-23(29)30-9-10-33(21)24)11-18(26)20(28)19(22)25(34)32-16-7-5-15(27)6-8-16;1-14(2)34-22-18(15(3)24-29-16(4)21-23(27)28-10-12-31(21)24)8-9-19(26)20(22)25(32)30-11-6-7-17(30)13-33-5;1-12(2)33-20-15(11-16(24)18(25)17(20)23(32)28-7-9-30(5)6)13(3)22-29-14(4)19-21(26)27-8-10-31(19)22/h5-13H,1-4H3,(H2,29,30)(H,32,34);8-10,12,14-15,17H,6-7,11,13H2,1-5H3,(H2,27,28);8,10-13H,7,9H2,1-6H3,(H2,26,27)(H,28,32)
InChIKeyGLUCWXQKTNQMCB-UHFFFAOYSA-N
MW1446.49 g/mol
LogP13.33
Rot. Bonds21

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 158294869) has the molecular formula C73H86Cl2F4N16O7 and a molecular weight of 1446.49 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID158294869
Molecular FormulaC73H86Cl2F4N16O7
Molecular Weight1446.49 g/mol
Exact Mass1444.62
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)c1c(F)ccc(C(C)c2nc(C)c3c(N)nccn23)c1OC(C)C.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCCN(C)C)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)Nc3ccc(F)cc3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C25H24ClF2N5O2.C25H32FN5O3.C23H30ClFN6O2/c1-12(2)35-22-17(13(3)24-31-14(4)21-23(29)30-9-10-33(21)24)11-18(26)20(28)19(22)25(34)32-16-7-5-15(27)6-8-16;1-14(2)34-22-18(15(3)24-29-16(4)21-23(27)28-10-12-31(21)24)8-9-19(26)20(22)25(32)30-11-6-7-17(30)13-33-5;1-12(2)33-20-15(11-16(24)18(25)17(20)23(32)28-7-9-30(5)6)13(3)22-29-14(4)19-21(26)27-8-10-31(19)22/h5-13H,1-4H3,(H2,29,30)(H,32,34);8-10,12,14-15,17H,6-7,11,13H2,1-5H3,(H2,27,28);8,10-13H,7,9H2,1-6H3,(H2,26,27)(H,28,32)
InChIKeyGLUCWXQKTNQMCB-UHFFFAOYSA-N
XLogP13.33
TPSA287.30 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001446.49
LogP ≤ 513.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-fluoroimidazo[1,5-a]pyrazin-1-yl]-2-chloro-5-ethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 121457259
4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
CID 123641062
[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 134600632
5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 134600637
[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 134600641
(2S)-1-[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 134600901
1-[5-[5-[(8-Amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 134600902
[5-[5-[(8-Amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134600973
[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 134600976
(2R)-1-[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 134600980
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3-hydroxyoxetan-3-yl)methyl]-6-propan-2-yloxybenzamide
CID 137549646
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-6-propan-2-yloxybenzamide
CID 137549647

Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 158294869) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCCN1C(=O)c1c(F)ccc(C(C)c2nc(C)c3c(N)nccn23)c1OC(C)C.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCCN(C)C)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)Nc3ccc(F)cc3)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GLUCWXQKTNQMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF2N5O2.C25H32FN5O3.C23H30ClFN6O2/c1-12(2)35-22-17(13(3)24-31-14(4)21-23(29)30-9-10-33(21)24)11-18(26)20(28)19(22)25(34)32-16-7-5-15(27)6-8-16;1-14(2)34-22-18(15(3)24-29-16(4)21-23(27)28-10-12-31(21)24)8-9-19(26)20(22)25(32)30-11-6-7-17(30)13-33-5;1-12(2)33-20-15(11-16(24)18(25)17(20)23(32)28-7-9-30(5)6)13(3)22-29-14(4)19-21(26)27-8-10-31(19)22/h5-13H,1-4H3,(H2,29,30)(H,32,34);8-10,12,14-15,17H,6-7,11,13H2,1-5H3,(H2,27,28);8,10-13H,7,9H2,1-6H3,(H2,26,27)(H,28,32).
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 1446.49 g/mol, XLogP of 13.33, 21 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-fluorophenyl)-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 158294869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).