5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C93H108Cl4F8N20O10 — CID 163438914

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC[C@H](O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC[C@@H](C)O)c2OC(C)C)n2ccnc(N)c12.Cc1nc([C@@H](C)c2cc(Cl)c(F)c(C(=O)N3CCC(F)(F)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc([C@H](C)c2cc(Cl)c(F)c(C(=O)N3CCC(F)(F)CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/2C24H27ClF3N5O2.C23H27ClFN5O3.C22H27ClFN5O3/c2*1-12(2)35-20-15(13(3)22-31-14(4)19-21(29)30-7-10-33(19)22)11-16(25)18(26)17(20)23(34)32-8-5-24(27,28)6-9-32;1-11(2)33-20-15(12(3)22-28-13(4)19-21(26)27-6-8-30(19)22)9-16(24)18(25)17(20)23(32)29-7-5-14(31)10-29;1-10(2)32-19-14(8-15(23)17(24)16(19)22(31)27-9-11(3)30)12(4)21-28-13(5)18-20(25)26-6-7-29(18)21/h2*7,10-13H,5-6,8-9H2,1-4H3,(H2,29,30);6,8-9,11-12,14,31H,5,7,10H2,1-4H3,(H2,26,27);6-8,10-12,30H,9H2,1-5H3,(H2,25,26)(H,27,31)/t2*13-;12?,14-;11-,12?/m1001/s1
InChIKeyAWWDSPPTARPPNB-NHPUQUKISA-N
MW1959.81 g/mol
LogP17.47
Rot. Bonds22

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 163438914) has the molecular formula C93H108Cl4F8N20O10 and a molecular weight of 1959.81 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID163438914
Molecular FormulaC93H108Cl4F8N20O10
Molecular Weight1959.81 g/mol
Exact Mass1956.72
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC[C@H](O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC[C@@H](C)O)c2OC(C)C)n2ccnc(N)c12.Cc1nc([C@@H](C)c2cc(Cl)c(F)c(C(=O)N3CCC(F)(F)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc([C@H](C)c2cc(Cl)c(F)c(C(=O)N3CCC(F)(F)CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/2C24H27ClF3N5O2.C23H27ClFN5O3.C22H27ClFN5O3/c2*1-12(2)35-20-15(13(3)22-31-14(4)19-21(29)30-7-10-33(19)22)11-16(25)18(26)17(20)23(34)32-8-5-24(27,28)6-9-32;1-11(2)33-20-15(12(3)22-28-13(4)19-21(26)27-6-8-30(19)22)9-16(24)18(25)17(20)23(32)29-7-5-14(31)10-29;1-10(2)32-19-14(8-15(23)17(24)16(19)22(31)27-9-11(3)30)12(4)21-28-13(5)18-20(25)26-6-7-29(18)21/h2*7,10-13H,5-6,8-9H2,1-4H3,(H2,29,30);6,8-9,11-12,14,31H,5,7,10H2,1-4H3,(H2,26,27);6-8,10-12,30H,9H2,1-5H3,(H2,25,26)(H,27,31)/t2*13-;12?,14-;11-,12?/m1001/s1
InChIKeyAWWDSPPTARPPNB-NHPUQUKISA-N
XLogP17.47
TPSA392.25 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms135
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001959.81
LogP ≤ 517.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone 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-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 163438914) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC[C@H](O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC[C@@H](C)O)c2OC(C)C)n2ccnc(N)c12.Cc1nc([C@@H](C)c2cc(Cl)c(F)c(C(=O)N3CCC(F)(F)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc([C@H](C)c2cc(Cl)c(F)c(C(=O)N3CCC(F)(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-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is AWWDSPPTARPPNB-NHPUQUKISA-N. The full InChI is InChI=1S/2C24H27ClF3N5O2.C23H27ClFN5O3.C22H27ClFN5O3/c2*1-12(2)35-20-15(13(3)22-31-14(4)19-21(29)30-7-10-33(19)22)11-16(25)18(26)17(20)23(34)32-8-5-24(27,28)6-9-32;1-11(2)33-20-15(12(3)22-28-13(4)19-21(26)27-6-8-30(19)22)9-16(24)18(25)17(20)23(32)29-7-5-14(31)10-29;1-10(2)32-19-14(8-15(23)17(24)16(19)22(31)27-9-11(3)30)12(4)21-28-13(5)18-20(25)26-6-7-29(18)21/h2*7,10-13H,5-6,8-9H2,1-4H3,(H2,29,30);6,8-9,11-12,14,31H,5,7,10H2,1-4H3,(H2,26,27);6-8,10-12,30H,9H2,1-5H3,(H2,25,26)(H,27,31)/t2*13-;12?,14-;11-,12?/m1001/s1.
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 1959.81 g/mol, XLogP of 17.47, 22 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-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-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;[5-[(1R)-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;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 163438914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).