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

C97H118Cl4F6N20O11S — CID 157256635

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

5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane (PubChem CID 157256635) has the molecular formula C97H118Cl4F6N20O11S and a molecular weight of 2028.01 g/mol. Its IUPAC name is 5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane.

Molecular Properties

• Compound Name: 5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane
• PubChem CID: 157256635
• Molecular Formula: C97H118Cl4F6N20O11S
• Molecular Weight: 2028.01 g/mol
• Exact Mass: 2024.77
• IUPAC Name: 5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane
• SMILES: CCOCC1(NC(=O)c2c(F)c(Cl)cc([C@H](C)c3nc(C)c4c(N)nccn34)c2OC(C)C)CC1.Cc1nc([C@@H](C)c2cc(Cl)c(F)c(C(=O)NC3CC[C@@H](O)C3)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)NC3CC[C@@H](O)C3)c2OC(C)C)n2ccnc(N)c12.S
• InChI: InChI=1S/C25H31ClFN5O3.C24H27ClF3N5O2.2C24H29ClFN5O3.H2S/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;2*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);2*7-8,10-12,14-15,32H,5-6,9H2,1-4H3,(H2,27,28)(H,30,33);1H2/t14-;13-;12-,14?,15+;12-,14?,15-;/m0101./s1
• InChIKey: AWYVAALLTXWFBF-BKEKDSAFSA-N
• XLogP: 17.98
• TPSA: 419.06 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2028.01
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane?

The IUPAC name of 5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane (CID 157256635) is 5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane.

What is the SMILES notation for 5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane?

The canonical SMILES for 5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane is CCOCC1(NC(=O)c2c(F)c(Cl)cc([C@H](C)c3nc(C)c4c(N)nccn34)c2OC(C)C)CC1.Cc1nc([C@@H](C)c2cc(Cl)c(F)c(C(=O)NC3CC[C@@H](O)C3)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)NC3CC[C@@H](O)C3)c2OC(C)C)n2ccnc(N)c12.S.

What is the InChIKey of 5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane?

The InChIKey is AWYVAALLTXWFBF-BKEKDSAFSA-N. The full InChI is InChI=1S/C25H31ClFN5O3.C24H27ClF3N5O2.2C24H29ClFN5O3.H2S/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;2*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);2*7-8,10-12,14-15,32H,5-6,9H2,1-4H3,(H2,27,28)(H,30,33);1H2/t14-;13-;12-,14?,15+;12-,14?,15-;/m0101./s1.

What are the key properties of 5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane?

5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane has a molecular weight of 2028.01 g/mol, XLogP of 17.98, 26 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1S)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;[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;sulfane is sourced from PubChem (CID 157256635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).