5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide

C94H114Cl4F4N20O10 — CID 158493347

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide
SMILESCCCNC(=O)c1c(F)c(Cl)cc(C(C)c2nc(C)c3c(N)nccn23)c1OC(C)C.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC(C)OC(C)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCCOC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C25H31ClFN5O3.C24H29ClFN5O3.C23H27ClFN5O2.C22H27ClFN5O2/c1-12(2)34-22-17(15(5)24-30-16(6)21-23(28)29-7-8-32(21)24)9-18(26)20(27)19(22)25(33)31-10-13(3)35-14(4)11-31;1-12(2)34-21-16(13(3)23-29-14(4)20-22(27)28-7-8-31(20)23)10-17(25)19(26)18(21)24(32)30-15-6-5-9-33-11-15;1-11(2)32-20-15(9-16(24)18(25)17(20)23(31)28-10-14-5-6-14)12(3)22-29-13(4)19-21(26)27-7-8-30(19)22;1-6-7-27-22(30)16-17(24)15(23)10-14(19(16)31-11(2)3)12(4)21-28-13(5)18-20(25)26-8-9-29(18)21/h7-9,12-15H,10-11H2,1-6H3,(H2,28,29);7-8,10,12-13,15H,5-6,9,11H2,1-4H3,(H2,27,28)(H,30,32);7-9,11-12,14H,5-6,10H2,1-4H3,(H2,26,27)(H,28,31);8-12H,6-7H2,1-5H3,(H2,25,26)(H,27,30)
InChIKeyHIYXIIFLJJDCDP-UHFFFAOYSA-N
MW1901.88 g/mol
LogP17.84
Rot. Bonds25

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide (PubChem CID 158493347) has the molecular formula C94H114Cl4F4N20O10 and a molecular weight of 1901.88 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide
PubChem CID158493347
Molecular FormulaC94H114Cl4F4N20O10
Molecular Weight1901.88 g/mol
Exact Mass1898.77
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide
SMILESCCCNC(=O)c1c(F)c(Cl)cc(C(C)c2nc(C)c3c(N)nccn23)c1OC(C)C.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC(C)OC(C)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCCOC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C25H31ClFN5O3.C24H29ClFN5O3.C23H27ClFN5O2.C22H27ClFN5O2/c1-12(2)34-22-17(15(5)24-30-16(6)21-23(28)29-7-8-32(21)24)9-18(26)20(27)19(22)25(33)31-10-13(3)35-14(4)11-31;1-12(2)34-21-16(13(3)23-29-14(4)20-22(27)28-7-8-31(20)23)10-17(25)19(26)18(21)24(32)30-15-6-5-9-33-11-15;1-11(2)32-20-15(9-16(24)18(25)17(20)23(31)28-10-14-5-6-14)12(3)22-29-13(4)19-21(26)27-7-8-30(19)22;1-6-7-27-22(30)16-17(24)15(23)10-14(19(16)31-11(2)3)12(4)21-28-13(5)18-20(25)26-8-9-29(18)21/h7-9,12-15H,10-11H2,1-6H3,(H2,28,29);7-8,10,12-13,15H,5-6,9,11H2,1-4H3,(H2,27,28)(H,30,32);7-9,11-12,14H,5-6,10H2,1-4H3,(H2,26,27)(H,28,31);8-12H,6-7H2,1-5H3,(H2,25,26)(H,27,30)
InChIKeyHIYXIIFLJJDCDP-UHFFFAOYSA-N
XLogP17.84
TPSA387.83 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001901.88
LogP ≤ 517.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide with MolForge

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Related Compounds

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
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide
CID 137549653
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-6-propan-2-yloxybenzamide
CID 137549654
[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3R)-3-methoxypiperidin-1-yl]methanone
CID 137549657
[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 137549658
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-ylmethyl)-6-propan-2-yloxybenzamide
CID 137549660
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-propan-2-yloxybenzamide
CID 137549661
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-oxan-3-yl]-6-propan-2-yloxybenzamide
CID 137549662
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide
CID 137549663
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-4-ylmethyl)-6-propan-2-yloxybenzamide
CID 137549664
[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone
CID 137549668
[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 137549669

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-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide (CID 158493347) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide is CCCNC(=O)c1c(F)c(Cl)cc(C(C)c2nc(C)c3c(N)nccn23)c1OC(C)C.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC(C)OC(C)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCCOC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CC3)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-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide?
The InChIKey is HIYXIIFLJJDCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClFN5O3.C24H29ClFN5O3.C23H27ClFN5O2.C22H27ClFN5O2/c1-12(2)34-22-17(15(5)24-30-16(6)21-23(28)29-7-8-32(21)24)9-18(26)20(27)19(22)25(33)31-10-13(3)35-14(4)11-31;1-12(2)34-21-16(13(3)23-29-14(4)20-22(27)28-7-8-31(20)23)10-17(25)19(26)18(21)24(32)30-15-6-5-9-33-11-15;1-11(2)32-20-15(9-16(24)18(25)17(20)23(31)28-10-14-5-6-14)12(3)22-29-13(4)19-21(26)27-7-8-30(19)22;1-6-7-27-22(30)16-17(24)15(23)10-14(19(16)31-11(2)3)12(4)21-28-13(5)18-20(25)26-8-9-29(18)21/h7-9,12-15H,10-11H2,1-6H3,(H2,28,29);7-8,10,12-13,15H,5-6,9,11H2,1-4H3,(H2,27,28)(H,30,32);7-9,11-12,14H,5-6,10H2,1-4H3,(H2,26,27)(H,28,31);8-12H,6-7H2,1-5H3,(H2,25,26)(H,27,30).
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide has a molecular weight of 1901.88 g/mol, XLogP of 17.84, 25 rotatable bonds, 7 hydrogen bond donors, and 26 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-(cyclopropylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-yl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-propylbenzamide is sourced from PubChem (CID 158493347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).