5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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

C73H87Cl3F5N15O8 — CID 159080127

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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
SMILESCCOCC1(NC(=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)N3CCC(F)(F)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCC(O)C3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C25H31ClFN5O3.C24H27ClF3N5O2.C24H29ClFN5O3/c1-6-34-12-25(7-8-25)31-24(33)18-19(27)17(26)11-16(21(18)35-13(2)3)14(4)23-30-15(5)20-22(28)29-9-10-32(20)23;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)34-21-16(12(3)23-29-13(4)20-22(27)28-7-8-31(20)23)10-17(25)19(26)18(21)24(33)30-14-5-6-15(32)9-14/h9-11,13-14H,6-8,12H2,1-5H3,(H2,28,29)(H,31,33);7,10-13H,5-6,8-9H2,1-4H3,(H2,29,30);7-8,10-12,14-15,32H,5-6,9H2,1-4H3,(H2,27,28)(H,30,33)
InChIKeyKATGASVJOVSSQM-UHFFFAOYSA-N
MW1503.94 g/mol
LogP13.87
Rot. Bonds20

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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 (PubChem CID 159080127) has the molecular formula C73H87Cl3F5N15O8 and a molecular weight of 1503.94 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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
PubChem CID159080127
Molecular FormulaC73H87Cl3F5N15O8
Molecular Weight1503.94 g/mol
Exact Mass1501.58
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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
SMILESCCOCC1(NC(=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)N3CCC(F)(F)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCC(O)C3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C25H31ClFN5O3.C24H27ClF3N5O2.C24H29ClFN5O3/c1-6-34-12-25(7-8-25)31-24(33)18-19(27)17(26)11-16(21(18)35-13(2)3)14(4)23-30-15(5)20-22(28)29-9-10-32(20)23;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)34-21-16(12(3)23-29-13(4)20-22(27)28-7-8-31(20)23)10-17(25)19(26)18(21)24(33)30-14-5-6-15(32)9-14/h9-11,13-14H,6-8,12H2,1-5H3,(H2,28,29)(H,31,33);7,10-13H,5-6,8-9H2,1-4H3,(H2,29,30);7-8,10-12,14-15,32H,5-6,9H2,1-4H3,(H2,27,28)(H,30,33)
InChIKeyKATGASVJOVSSQM-UHFFFAOYSA-N
XLogP13.87
TPSA304.29 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001503.94
LogP ≤ 513.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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 with MolForge

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Related Compounds

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]amino]cyclopropane-1-carboxylic acid
CID 134588130
[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-[(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
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-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide
CID 137549653
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
[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-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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 159080127) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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 is CCOCC1(NC(=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)N3CCC(F)(F)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCC(O)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-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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?
The InChIKey is KATGASVJOVSSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClFN5O3.C24H27ClF3N5O2.C24H29ClFN5O3/c1-6-34-12-25(7-8-25)31-24(33)18-19(27)17(26)11-16(21(18)35-13(2)3)14(4)23-30-15(5)20-22(28)29-9-10-32(20)23;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)34-21-16(12(3)23-29-13(4)20-22(27)28-7-8-31(20)23)10-17(25)19(26)18(21)24(33)30-14-5-6-15(32)9-14/h9-11,13-14H,6-8,12H2,1-5H3,(H2,28,29)(H,31,33);7,10-13H,5-6,8-9H2,1-4H3,(H2,29,30);7-8,10-12,14-15,32H,5-6,9H2,1-4H3,(H2,27,28)(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-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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 has a molecular weight of 1503.94 g/mol, XLogP of 13.87, 20 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-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclopentyl)-6-propan-2-yloxybenzamide;[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 is sourced from PubChem (CID 159080127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).