5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide

C75H85Cl3F6N16O8 — CID 161073444

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3ccnc(C(F)(F)F)c3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CC(O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCC(O)CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C27H27ClF4N6O2.C25H31ClFN5O3.C23H27ClFN5O3/c1-12(2)40-23-17(13(3)25-36-15(5)22-24(33)35-8-9-38(22)25)11-18(28)21(29)20(23)26(39)37-14(4)16-6-7-34-19(10-16)27(30,31)32;1-12(2)35-22-17(13(3)24-30-14(4)21-23(28)29-9-10-32(21)24)11-18(26)20(27)19(22)25(34)31-15-5-7-16(33)8-6-15;1-10(2)33-20-15(11(3)22-28-12(4)19-21(26)27-5-6-30(19)22)9-16(24)18(25)17(20)23(32)29-13-7-14(31)8-13/h6-14H,1-5H3,(H2,33,35)(H,37,39);9-13,15-16,33H,5-8H2,1-4H3,(H2,28,29)(H,31,34);5-6,9-11,13-14,31H,7-8H2,1-4H3,(H2,26,27)(H,29,32)
InChIKeyUEYNEIZONSBWSI-UHFFFAOYSA-N
MW1558.96 g/mol
LogP14.25
Rot. Bonds19

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide (PubChem CID 161073444) has the molecular formula C75H85Cl3F6N16O8 and a molecular weight of 1558.96 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide
PubChem CID161073444
Molecular FormulaC75H85Cl3F6N16O8
Molecular Weight1558.96 g/mol
Exact Mass1556.57
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3ccnc(C(F)(F)F)c3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CC(O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCC(O)CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C27H27ClF4N6O2.C25H31ClFN5O3.C23H27ClFN5O3/c1-12(2)40-23-17(13(3)25-36-15(5)22-24(33)35-8-9-38(22)25)11-18(28)21(29)20(23)26(39)37-14(4)16-6-7-34-19(10-16)27(30,31)32;1-12(2)35-22-17(13(3)24-30-14(4)21-23(28)29-9-10-32(21)24)11-18(26)20(27)19(22)25(34)31-15-5-7-16(33)8-6-15;1-10(2)33-20-15(11(3)22-28-12(4)19-21(26)27-5-6-30(19)22)9-16(24)18(25)17(20)23(32)29-13-7-14(31)8-13/h6-14H,1-5H3,(H2,33,35)(H,37,39);9-13,15-16,33H,5-8H2,1-4H3,(H2,28,29)(H,31,34);5-6,9-11,13-14,31H,7-8H2,1-4H3,(H2,26,27)(H,29,32)
InChIKeyUEYNEIZONSBWSI-UHFFFAOYSA-N
XLogP14.25
TPSA336.97 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001558.96
LogP ≤ 514.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide with MolForge

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Related Compounds

[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
[5-[5-[(8-Amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 134600728
[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
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
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxy-1-methylcyclobutyl)-6-propan-2-yloxybenzamide
CID 137549652
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
1-[5-[1-(8-Amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid
CID 137549655
[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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide (CID 161073444) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide is Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3ccnc(C(F)(F)F)c3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CC(O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCC(O)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-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide?
The InChIKey is UEYNEIZONSBWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClF4N6O2.C25H31ClFN5O3.C23H27ClFN5O3/c1-12(2)40-23-17(13(3)25-36-15(5)22-24(33)35-8-9-38(22)25)11-18(28)21(29)20(23)26(39)37-14(4)16-6-7-34-19(10-16)27(30,31)32;1-12(2)35-22-17(13(3)24-30-14(4)21-23(28)29-9-10-32(21)24)11-18(26)20(27)19(22)25(34)31-15-5-7-16(33)8-6-15;1-10(2)33-20-15(11(3)22-28-12(4)19-21(26)27-5-6-30(19)22)9-16(24)18(25)17(20)23(32)29-13-7-14(31)8-13/h6-14H,1-5H3,(H2,33,35)(H,37,39);9-13,15-16,33H,5-8H2,1-4H3,(H2,28,29)(H,31,34);5-6,9-11,13-14,31H,7-8H2,1-4H3,(H2,26,27)(H,29,32).
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide has a molecular weight of 1558.96 g/mol, XLogP of 14.25, 19 rotatable bonds, 8 hydrogen bond donors, and 21 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-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-hydroxycyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 161073444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).