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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone

C91H102Cl4F4N20O14 — CID 163572404

About 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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone

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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone (PubChem CID 163572404) has the molecular formula C91H102Cl4F4N20O14 and a molecular weight of 1917.75 g/mol. Its IUPAC name is 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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: 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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone
• PubChem CID: 163572404
• Molecular Formula: C91H102Cl4F4N20O14
• Molecular Weight: 1917.75 g/mol
• Exact Mass: 1914.66
• IUPAC Name: 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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone
• SMILES: Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC(C(=O)O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC(O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCOCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(C(=O)O)CC3)c2OC(C)C)n2ccnc(N)c12
• InChI: InChI=1S/2C23H25ClFN5O4.C23H27ClFN5O3.C22H25ClFN5O3/c1-10(2)34-19-14(11(3)21-28-12(4)18-20(26)27-5-6-30(18)21)7-15(24)17(25)16(19)22(31)29-8-13(9-29)23(32)33;1-10(2)34-18-13(11(3)20-28-12(4)17-19(26)27-7-8-30(17)20)9-14(24)16(25)15(18)21(31)29-23(5-6-23)22(32)33;1-12(2)33-20-15(13(3)22-28-14(4)19-21(26)27-5-6-30(19)22)11-16(24)18(25)17(20)23(31)29-7-9-32-10-8-29;1-10(2)32-19-14(7-15(23)17(24)16(19)22(31)28-8-13(30)9-28)11(3)21-27-12(4)18-20(25)26-5-6-29(18)21/h5-7,10-11,13H,8-9H2,1-4H3,(H2,26,27)(H,32,33);7-11H,5-6H2,1-4H3,(H2,26,27)(H,29,31)(H,32,33);5-6,11-13H,7-10H2,1-4H3,(H2,26,27);5-7,10-11,13,30H,8-9H2,1-4H3,(H2,25,26)
• InChIKey: GANMFAKHALKLLZ-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 455.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1917.75
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone?

The IUPAC name of 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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone (CID 163572404) is 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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for 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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone?

The canonical SMILES for 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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone is Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC(C(=O)O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC(O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCOCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(C(=O)O)CC3)c2OC(C)C)n2ccnc(N)c12.

What is the InChIKey of 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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone?

The InChIKey is GANMFAKHALKLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25ClFN5O4.C23H27ClFN5O3.C22H25ClFN5O3/c1-10(2)34-19-14(11(3)21-28-12(4)18-20(26)27-5-6-30(18)21)7-15(24)17(25)16(19)22(31)29-8-13(9-29)23(32)33;1-10(2)34-18-13(11(3)20-28-12(4)17-19(26)27-7-8-30(17)20)9-14(24)16(25)15(18)21(31)29-23(5-6-23)22(32)33;1-12(2)33-20-15(13(3)22-28-14(4)19-21(26)27-5-6-30(19)22)11-16(24)18(25)17(20)23(31)29-7-9-32-10-8-29;1-10(2)32-19-14(7-15(23)17(24)16(19)22(31)28-8-13(30)9-28)11(3)21-27-12(4)18-20(25)26-5-6-29(18)21/h5-7,10-11,13H,8-9H2,1-4H3,(H2,26,27)(H,32,33);7-11H,5-6H2,1-4H3,(H2,26,27)(H,29,31)(H,32,33);5-6,11-13H,7-10H2,1-4H3,(H2,26,27);5-7,10-11,13,30H,8-9H2,1-4H3,(H2,25,26).

What are the key properties of 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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone?

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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 1917.75 g/mol, XLogP of 14.20, 23 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzoyl]azetidine-3-carboxylic acid;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxyazetidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163572404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).