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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide

C105H137Cl4F4N23O8 — CID 158561243

IUPAC5-[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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide
SMILESCCN1CCC(CNC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)CC1.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)CC3)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/C28H38ClFN6O2.C27H36ClFN6O2.C25H32ClFN6O2.C25H31ClFN5O2/c1-15(2)35-10-7-19(8-11-35)14-33-28(37)22-23(30)21(29)13-20(25(22)38-16(3)4)17(5)27-34-18(6)24-26(31)32-9-12-36(24)27;1-6-34-10-7-18(8-11-34)14-32-27(36)21-22(29)20(28)13-19(24(21)37-15(2)3)16(4)26-33-17(5)23-25(30)31-9-12-35(23)26;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/h9,12-13,15-17,19H,7-8,10-11,14H2,1-6H3,(H2,31,32)(H,33,37);9,12-13,15-16,18H,6-8,10-11,14H2,1-5H3,(H2,30,31)(H,32,36);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)
InChIKeyHQXIUKAJHOZTSY-UHFFFAOYSA-N
MW2067.21 g/mol
LogP19.32
Rot. Bonds30

About 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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide

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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 158561243) has the molecular formula C105H137Cl4F4N23O8 and a molecular weight of 2067.21 g/mol. Its IUPAC name is 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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-[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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide
PubChem CID158561243
Molecular FormulaC105H137Cl4F4N23O8
Molecular Weight2067.21 g/mol
Exact Mass2063.97
IUPAC Name5-[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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide
SMILESCCN1CCC(CNC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)CC1.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)CC3)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/C28H38ClFN6O2.C27H36ClFN6O2.C25H32ClFN6O2.C25H31ClFN5O2/c1-15(2)35-10-7-19(8-11-35)14-33-28(37)22-23(30)21(29)13-20(25(22)38-16(3)4)17(5)27-34-18(6)24-26(31)32-9-12-36(24)27;1-6-34-10-7-18(8-11-34)14-32-27(36)21-22(29)20(28)13-19(24(21)37-15(2)3)16(4)26-33-17(5)23-25(30)31-9-12-35(23)26;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/h9,12-13,15-17,19H,7-8,10-11,14H2,1-6H3,(H2,31,32)(H,33,37);9,12-13,15-16,18H,6-8,10-11,14H2,1-5H3,(H2,30,31)(H,32,36);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)
InChIKeyHQXIUKAJHOZTSY-UHFFFAOYSA-N
XLogP19.32
TPSA387.88 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002067.21
LogP ≤ 519.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide with MolForge

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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-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide (CID 158561243) is 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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide is CCN1CCC(CNC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)CC1.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)CC3)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 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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is HQXIUKAJHOZTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38ClFN6O2.C27H36ClFN6O2.C25H32ClFN6O2.C25H31ClFN5O2/c1-15(2)35-10-7-19(8-11-35)14-33-28(37)22-23(30)21(29)13-20(25(22)38-16(3)4)17(5)27-34-18(6)24-26(31)32-9-12-36(24)27;1-6-34-10-7-18(8-11-34)14-32-27(36)21-22(29)20(28)13-19(24(21)37-15(2)3)16(4)26-33-17(5)23-25(30)31-9-12-35(23)26;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/h9,12-13,15-17,19H,7-8,10-11,14H2,1-6H3,(H2,31,32)(H,33,37);9,12-13,15-16,18H,6-8,10-11,14H2,1-5H3,(H2,30,31)(H,32,36);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 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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide?
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-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 2067.21 g/mol, XLogP of 19.32, 30 rotatable bonds, 8 hydrogen bond donors, and 27 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-(cyclopentylmethyl)-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[(1-ethylpiperidin-4-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-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 158561243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).