N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide

C39H47N9O4 — CID 177222421

About N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide

N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide (PubChem CID 177222421) has the molecular formula C39H47N9O4 and a molecular weight of 705.86 g/mol. Its IUPAC name is N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide
• PubChem CID: 177222421
• Molecular Formula: C39H47N9O4
• Molecular Weight: 705.86 g/mol
• Exact Mass: 705.38
• IUPAC Name: N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccc(CNC(=O)c3ncc4n3CCN(Cc3ccc(C(=O)N(C)C)cc3)C43COC3)cc2)cnn1C1CCN(C2CC2)CC1
• InChI: InChI=1S/C39H47N9O4/c1-26-33(21-42-48(26)32-14-16-45(17-15-32)31-12-13-31)36(49)43-30-10-6-27(7-11-30)20-41-37(50)35-40-22-34-39(24-52-25-39)46(18-19-47(34)35)23-28-4-8-29(9-5-28)38(51)44(2)3/h4-11,21-22,31-32H,12-20,23-25H2,1-3H3,(H,41,50)(H,43,49)
• InChIKey: SKEHFZZKFQUBSV-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 129.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	705.86
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide?

The IUPAC name of N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide (CID 177222421) is N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide.

What is the SMILES notation for N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide?

The canonical SMILES for N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide is Cc1c(C(=O)Nc2ccc(CNC(=O)c3ncc4n3CCN(Cc3ccc(C(=O)N(C)C)cc3)C43COC3)cc2)cnn1C1CCN(C2CC2)CC1.

What is the InChIKey of N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide?

The InChIKey is SKEHFZZKFQUBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47N9O4/c1-26-33(21-42-48(26)32-14-16-45(17-15-32)31-12-13-31)36(49)43-30-10-6-27(7-11-30)20-41-37(50)35-40-22-34-39(24-52-25-39)46(18-19-47(34)35)23-28-4-8-29(9-5-28)38(51)44(2)3/h4-11,21-22,31-32H,12-20,23-25H2,1-3H3,(H,41,50)(H,43,49).

What are the key properties of N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide?

N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide has a molecular weight of 705.86 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[1-(1-cyclopropylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,3'-oxetane]-3-carboxamide is sourced from PubChem (CID 177222421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).