N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

C129H165Cl5F5N29O11 — CID 157344233

IUPACN-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(=O)N1CCC(CNC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.CCN1CCC(CNC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCN(C(C)C)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCN(C)C3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C27H36ClFN6O2.C26H32ClFN6O3.C26H34ClFN6O2.C25H32ClFN6O2.C25H31ClFN5O2/c1-14(2)34-9-7-18(13-34)12-32-27(36)21-22(29)20(28)11-19(24(21)37-15(3)4)16(5)26-33-17(6)23-25(30)31-8-10-35(23)26;1-13(2)37-23-18(14(3)25-32-15(4)22-24(29)30-7-9-34(22)25)10-19(27)21(28)20(23)26(36)31-11-17-6-8-33(12-17)16(5)35;1-6-33-9-7-17(13-33)12-31-26(35)20-21(28)19(27)11-18(23(20)36-14(2)3)15(4)25-32-16(5)22-24(29)30-8-10-34(22)25;1-13(2)35-22-17(14(3)24-31-15(4)21-23(28)29-7-9-33(21)24)10-18(26)20(27)19(22)25(34)30-11-16-6-8-32(5)12-16;1-13(2)34-22-17(14(3)24-31-15(4)21-23(28)29-9-10-32(21)24)11-18(26)20(27)19(22)25(33)30-12-16-7-5-6-8-16/h8,10-11,14-16,18H,7,9,12-13H2,1-6H3,(H2,30,31)(H,32,36);7,9-10,13-14,17H,6,8,11-12H2,1-5H3,(H2,29,30)(H,31,36);8,10-11,14-15,17H,6-7,9,12-13H2,1-5H3,(H2,29,30)(H,31,35);7,9-10,13-14,16H,6,8,11-12H2,1-5H3,(H2,28,29)(H,30,34);9-11,13-14,16H,5-8,12H2,1-4H3,(H2,28,29)(H,30,33)
InChIKeyBGTNBXHHQQXAGQ-UHFFFAOYSA-N
MW2570.19 g/mol
LogP22.49
Rot. Bonds37

About N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 157344233) has the molecular formula C129H165Cl5F5N29O11 and a molecular weight of 2570.19 g/mol. Its IUPAC name is N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
PubChem CID157344233
Molecular FormulaC129H165Cl5F5N29O11
Molecular Weight2570.19 g/mol
Exact Mass2566.16
IUPAC NameN-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(=O)N1CCC(CNC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.CCN1CCC(CNC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCN(C(C)C)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCN(C)C3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C27H36ClFN6O2.C26H32ClFN6O3.C26H34ClFN6O2.C25H32ClFN6O2.C25H31ClFN5O2/c1-14(2)34-9-7-18(13-34)12-32-27(36)21-22(29)20(28)11-19(24(21)37-15(3)4)16(5)26-33-17(6)23-25(30)31-8-10-35(23)26;1-13(2)37-23-18(14(3)25-32-15(4)22-24(29)30-7-9-34(22)25)10-19(27)21(28)20(23)26(36)31-11-17-6-8-33(12-17)16(5)35;1-6-33-9-7-17(13-33)12-31-26(35)20-21(28)19(27)11-18(23(20)36-14(2)3)15(4)25-32-16(5)22-24(29)30-8-10-34(22)25;1-13(2)35-22-17(14(3)24-31-15(4)21-23(28)29-7-9-33(21)24)10-18(26)20(27)19(22)25(34)30-11-16-6-8-32(5)12-16;1-13(2)34-22-17(14(3)24-31-15(4)21-23(28)29-9-10-32(21)24)11-18(26)20(27)19(22)25(33)30-12-16-7-5-6-8-16/h8,10-11,14-16,18H,7,9,12-13H2,1-6H3,(H2,30,31)(H,32,36);7,9-10,13-14,17H,6,8,11-12H2,1-5H3,(H2,29,30)(H,31,36);8,10-11,14-15,17H,6-7,9,12-13H2,1-5H3,(H2,29,30)(H,31,35);7,9-10,13-14,16H,6,8,11-12H2,1-5H3,(H2,28,29)(H,30,34);9-11,13-14,16H,5-8,12H2,1-4H3,(H2,28,29)(H,30,33)
InChIKeyBGTNBXHHQQXAGQ-UHFFFAOYSA-N
XLogP22.49
TPSA502.73 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds37
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002570.19
LogP ≤ 522.49
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide 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-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-[(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-yloxy-N-propylbenzamide
CID 137549673
[5-[1-(8-Amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 137549690
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[(1S)-1-[2-(trifluoromethyl)pyridin-4-yl]ethyl]benzamide
CID 137549691
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclopropyl-2-fluoro-6-propan-2-yloxybenzamide
CID 137549812
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3S)-oxan-3-yl]-6-propan-2-yloxybenzamide
CID 137549857
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-phenyl-6-propan-2-yloxybenzamide
CID 138462769
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide
CID 138462770

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (CID 157344233) is N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is CC(=O)N1CCC(CNC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.CCN1CCC(CNC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCN(C(C)C)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCC3CCN(C)C3)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is BGTNBXHHQQXAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClFN6O2.C26H32ClFN6O3.C26H34ClFN6O2.C25H32ClFN6O2.C25H31ClFN5O2/c1-14(2)34-9-7-18(13-34)12-32-27(36)21-22(29)20(28)11-19(24(21)37-15(3)4)16(5)26-33-17(6)23-25(30)31-8-10-35(23)26;1-13(2)37-23-18(14(3)25-32-15(4)22-24(29)30-7-9-34(22)25)10-19(27)21(28)20(23)26(36)31-11-17-6-8-33(12-17)16(5)35;1-6-33-9-7-17(13-33)12-31-26(35)20-21(28)19(27)11-18(23(20)36-14(2)3)15(4)25-32-16(5)22-24(29)30-8-10-34(22)25;1-13(2)35-22-17(14(3)24-31-15(4)21-23(28)29-7-9-33(21)24)10-18(26)20(27)19(22)25(34)30-11-16-6-8-32(5)12-16;1-13(2)34-22-17(14(3)24-31-15(4)21-23(28)29-9-10-32(21)24)11-18(26)20(27)19(22)25(33)30-12-16-7-5-6-8-16/h8,10-11,14-16,18H,7,9,12-13H2,1-6H3,(H2,30,31)(H,32,36);7,9-10,13-14,17H,6,8,11-12H2,1-5H3,(H2,29,30)(H,31,36);8,10-11,14-15,17H,6-7,9,12-13H2,1-5H3,(H2,29,30)(H,31,35);7,9-10,13-14,16H,6,8,11-12H2,1-5H3,(H2,28,29)(H,30,34);9-11,13-14,16H,5-8,12H2,1-4H3,(H2,28,29)(H,30,33).
What are the key properties of N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 2570.19 g/mol, XLogP of 22.49, 37 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpyrrolidin-3-yl)methyl]-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-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-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 157344233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).