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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;sulfane

C73H91Cl3F3N15O9S — CID 163612846

IUPAC5-[(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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;sulfane
SMILESCCOCC1(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)N[C@H]3CC[C@@H](O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc([C@H](C)c2cc(Cl)c(F)c(C(=O)N[C@H]3CC[C@@H](O)C3)c2OC(C)C)n2ccnc(N)c12.S
InChIInChI=1S/C25H31ClFN5O3.2C24H29ClFN5O3.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;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);2*7-8,10-12,14-15,32H,5-6,9H2,1-4H3,(H2,27,28)(H,30,33);1H2/t14-;12-,14+,15-;12-,14-,15+;/m010./s1
InChIKeyHHKXWQRXXHJSBN-UCUORGAQSA-N
MW1518.05 g/mol
LogP12.75
Rot. Bonds21

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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;sulfane (PubChem CID 163612846) has the molecular formula C73H91Cl3F3N15O9S and a molecular weight of 1518.05 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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;sulfane.

Molecular Properties

Compound Name5-[(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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;sulfane
PubChem CID163612846
Molecular FormulaC73H91Cl3F3N15O9S
Molecular Weight1518.05 g/mol
Exact Mass1515.59
IUPAC Name5-[(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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;sulfane
SMILESCCOCC1(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)N[C@H]3CC[C@@H](O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc([C@H](C)c2cc(Cl)c(F)c(C(=O)N[C@H]3CC[C@@H](O)C3)c2OC(C)C)n2ccnc(N)c12.S
InChIInChI=1S/C25H31ClFN5O3.2C24H29ClFN5O3.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;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);2*7-8,10-12,14-15,32H,5-6,9H2,1-4H3,(H2,27,28)(H,30,33);1H2/t14-;12-,14+,15-;12-,14-,15+;/m010./s1
InChIKeyHHKXWQRXXHJSBN-UCUORGAQSA-N
XLogP12.75
TPSA333.31 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001518.05
LogP ≤ 512.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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;sulfane
CID 159417340
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;sulfane
CID 160531522
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide
CID 166931131
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1R,2R)-2-hydroxycyclobutyl]-6-propan-2-yloxybenzamide
CID 175019801
5-[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 138462920
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]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-(4-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide
CID 163466965
N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide
CID 163504588
1-[[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]amino]cyclopropane-1-carboxylic acid
CID 138462782
5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide
CID 138462824
bis(5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(1,3-dimethylcyclobutyl)-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-(4-hydroxy-1-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1S,2S)-2-methylcyclopentyl]-6-propan-2-yloxybenzamide;sulfane
CID 163450434
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-4-ylmethyl)-6-propan-2-yloxybenzamide
CID 138462907
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(oxan-4-yl)ethyl]-6-propan-2-yloxybenzamide
CID 138462879

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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;sulfane (CID 163612846) 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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;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)N[C@H]3CC[C@@H](O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc([C@H](C)c2cc(Cl)c(F)c(C(=O)N[C@H]3CC[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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;sulfane?
The InChIKey is HHKXWQRXXHJSBN-UCUORGAQSA-N. The full InChI is InChI=1S/C25H31ClFN5O3.2C24H29ClFN5O3.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;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);2*7-8,10-12,14-15,32H,5-6,9H2,1-4H3,(H2,27,28)(H,30,33);1H2/t14-;12-,14+,15-;12-,14-,15+;/m010./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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;sulfane has a molecular weight of 1518.05 g/mol, XLogP of 12.75, 21 rotatable bonds, 8 hydrogen bond donors, and 21 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-[(1S,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-[(1S,3R)-3-hydroxycyclopentyl]-6-propan-2-yloxybenzamide;sulfane is sourced from PubChem (CID 163612846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).