N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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

C87H92Cl3F3N18O10 — CID 160775906

About N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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

N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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 (PubChem CID 160775906) has the molecular formula C87H92Cl3F3N18O10 and a molecular weight of 1713.16 g/mol. Its IUPAC name is N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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.

Molecular Properties

• Compound Name: N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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
• PubChem CID: 160775906
• Molecular Formula: C87H92Cl3F3N18O10
• Molecular Weight: 1713.16 g/mol
• Exact Mass: 1710.63
• IUPAC Name: N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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
• SMILES: CC(=O)C(C)(C)NC(=O)c1ccc(-c2c(F)c(Cl)cc([C@H](C)c3nc(C)c4c(N)nccn34)c2OC(C)C)cn1.CC(=O)C1(NC(=O)c2ccc(-c3c(F)c(Cl)cc([C@H](C)c4nc(C)c5c(N)nccn45)c3OC(C)C)cn2)CC1.Cc1nc([C@@H](C)c2cc(Cl)c(F)c(-c3ccc(C(=O)N4CCC[C@@H]4C(=O)O)nc3)c2OC(C)C)n2ccnc(N)c12
• InChI: InChI=1S/C29H30ClFN6O4.C29H30ClFN6O3.C29H32ClFN6O3/c1-14(2)41-25-18(15(3)27-35-16(4)24-26(32)33-9-11-37(24)27)12-19(30)23(31)22(25)17-7-8-20(34-13-17)28(38)36-10-5-6-21(36)29(39)40;1-14(2)40-25-19(15(3)27-35-16(4)24-26(32)33-10-11-37(24)27)12-20(30)23(31)22(25)18-6-7-21(34-13-18)28(39)36-29(8-9-29)17(5)38;1-14(2)40-25-19(15(3)27-35-16(4)24-26(32)33-10-11-37(24)27)12-20(30)23(31)22(25)18-8-9-21(34-13-18)28(39)36-29(6,7)17(5)38/h7-9,11-15,21H,5-6,10H2,1-4H3,(H2,32,33)(H,39,40);6-7,10-15H,8-9H2,1-5H3,(H2,32,33)(H,36,39);8-15H,1-7H3,(H2,32,33)(H,36,39)/t15-,21+;2*15-/m000/s1
• InChIKey: RZYAUELXJILTER-TXQAYQMKSA-N
• XLogP: 15.88
• TPSA: 384.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1713.16
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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?

The IUPAC name of N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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 160775906) is N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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.

What is the SMILES notation for N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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?

The canonical SMILES for N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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 is CC(=O)C(C)(C)NC(=O)c1ccc(-c2c(F)c(Cl)cc([C@H](C)c3nc(C)c4c(N)nccn34)c2OC(C)C)cn1.CC(=O)C1(NC(=O)c2ccc(-c3c(F)c(Cl)cc([C@H](C)c4nc(C)c5c(N)nccn45)c3OC(C)C)cn2)CC1.Cc1nc([C@@H](C)c2cc(Cl)c(F)c(-c3ccc(C(=O)N4CCC[C@@H]4C(=O)O)nc3)c2OC(C)C)n2ccnc(N)c12.

What is the InChIKey of N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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?

The InChIKey is RZYAUELXJILTER-TXQAYQMKSA-N. The full InChI is InChI=1S/C29H30ClFN6O4.C29H30ClFN6O3.C29H32ClFN6O3/c1-14(2)41-25-18(15(3)27-35-16(4)24-26(32)33-9-11-37(24)27)12-19(30)23(31)22(25)17-7-8-20(34-13-17)28(38)36-10-5-6-21(36)29(39)40;1-14(2)40-25-19(15(3)27-35-16(4)24-26(32)33-10-11-37(24)27)12-20(30)23(31)22(25)18-6-7-21(34-13-18)28(39)36-29(8-9-29)17(5)38;1-14(2)40-25-19(15(3)27-35-16(4)24-26(32)33-10-11-37(24)27)12-20(30)23(31)22(25)18-8-9-21(34-13-18)28(39)36-29(6,7)17(5)38/h7-9,11-15,21H,5-6,10H2,1-4H3,(H2,32,33)(H,39,40);6-7,10-15H,8-9H2,1-5H3,(H2,32,33)(H,36,39);8-15H,1-7H3,(H2,32,33)(H,36,39)/t15-,21+;2*15-/m000/s1.

What are the key properties of N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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?

N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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 has a molecular weight of 1713.16 g/mol, XLogP of 15.88, 23 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-acetylcyclopropyl)-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-carboxamide;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-methyl-3-oxobutan-2-yl)pyridine-2-carboxamide;(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 is sourced from PubChem (CID 160775906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).