3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C48H55N17O2 — CID 139543521

About 3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139543521) has the molecular formula C48H55N17O2 and a molecular weight of 902.09 g/mol. Its IUPAC name is 3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
• PubChem CID: 139543521
• Molecular Formula: C48H55N17O2
• Molecular Weight: 902.09 g/mol
• Exact Mass: 901.47
• IUPAC Name: 3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
• SMILES: CNC(=O)N1CCn2c(C3CCC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4CCN3CC(c4nc(-c5ccc6c(c5)c(-c5cnn(C)c5)nn6C)c5n4CCN(C(=O)NC)C5)C3)c2C1
• InChI: InChI=1S/C48H55N17O2/c1-49-47(66)61-14-16-63-39(27-61)43(53-45(63)29-7-6-8-29)31-10-12-38-36(20-31)42(33-22-52-58(4)24-33)56-65(38)18-13-60-25-34(26-60)46-54-44(40-28-62(48(67)50-2)15-17-64(40)46)30-9-11-37-35(19-30)41(55-59(37)5)32-21-51-57(3)23-32/h9-12,19-24,29,34H,6-8,13-18,25-28H2,1-5H3,(H,49,66)(H,50,67)
• InChIKey: GLTLZIOSLYALRB-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 174.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	902.09
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The IUPAC name of 3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139543521) is 3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

What is the SMILES notation for 3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The canonical SMILES for 3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4CCN3CC(c4nc(-c5ccc6c(c5)c(-c5cnn(C)c5)nn6C)c5n4CCN(C(=O)NC)C5)C3)c2C1.

What is the InChIKey of 3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The InChIKey is GLTLZIOSLYALRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H55N17O2/c1-49-47(66)61-14-16-63-39(27-61)43(53-45(63)29-7-6-8-29)31-10-12-38-36(20-31)42(33-22-52-58(4)24-33)56-65(38)18-13-60-25-34(26-60)46-54-44(40-28-62(48(67)50-2)15-17-64(40)46)30-9-11-37-35(19-30)41(55-59(37)5)32-21-51-57(3)23-32/h9-12,19-24,29,34H,6-8,13-18,25-28H2,1-5H3,(H,49,66)(H,50,67).

What are the key properties of 3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 902.09 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclobutyl-N-methyl-1-[1-[2-[3-[7-(methylcarbamoyl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139543521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).