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-[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

C69H81Cl3F5N15O8 — CID 159202167

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-[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
InChIInChI=1S/C24H27ClF3N5O2.C23H27ClFN5O3.C22H27ClFN5O3/c1-12(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/h7,10-13H,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)/t13-;12?,14-;11-,12?/m001/s1
InChIKeyKPKSUBUXEKDYBN-WXCCKTLQSA-N
MW1449.85 g/mol
LogP12.24
Rot. Bonds17

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-[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-[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 159202167) has the molecular formula C69H81Cl3F5N15O8 and a molecular weight of 1449.85 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-[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-[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 CID159202167
Molecular FormulaC69H81Cl3F5N15O8
Molecular Weight1449.85 g/mol
Exact Mass1447.54
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-[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
InChIInChI=1S/C24H27ClF3N5O2.C23H27ClFN5O3.C22H27ClFN5O3/c1-12(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/h7,10-13H,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)/t13-;12?,14-;11-,12?/m001/s1
InChIKeyKPKSUBUXEKDYBN-WXCCKTLQSA-N
XLogP12.24
TPSA306.50 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001449.85
LogP ≤ 512.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

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-[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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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
2-[[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carbonyl]amino]-2-methylpropanoic acid
CID 134600769
5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide
CID 134600820
5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide
CID 134600821
(2S)-1-[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 134600901
[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
(2R)-1-[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 134600980
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

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-[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-[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 159202167) 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-[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-[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-[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.
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-[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 KPKSUBUXEKDYBN-WXCCKTLQSA-N. The full InChI is InChI=1S/C24H27ClF3N5O2.C23H27ClFN5O3.C22H27ClFN5O3/c1-12(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/h7,10-13H,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)/t13-;12?,14-;11-,12?/m001/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-[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-[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 1449.85 g/mol, XLogP of 12.24, 17 rotatable bonds, 6 hydrogen bond donors, and 20 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-[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 159202167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).