6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide

C31H33N9O2 — CID 155176929

About 6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide

6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide (PubChem CID 155176929) has the molecular formula C31H33N9O2 and a molecular weight of 563.67 g/mol. Its IUPAC name is 6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide.

Molecular Properties

• Compound Name: 6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
• PubChem CID: 155176929
• Molecular Formula: C31H33N9O2
• Molecular Weight: 563.67 g/mol
• Exact Mass: 563.28
• IUPAC Name: 6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
• SMILES: CN1CCC(CN(C)C(=O)N2CCn3cc(-c4[nH][nH]c(=O)c4-c4cnc5ccccn45)c4cc(C#N)cc(c43)C2)CC1
• InChI: InChI=1S/C31H33N9O2/c1-36-9-6-20(7-10-36)17-37(2)31(42)39-12-11-38-19-24(23-14-21(15-32)13-22(18-39)29(23)38)28-27(30(41)35-34-28)25-16-33-26-5-3-4-8-40(25)26/h3-5,8,13-14,16,19-20H,6-7,9-12,17-18H2,1-2H3,(H2,34,35,41)
• InChIKey: WZZOPLZNYYCMHN-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 121.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.67
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide?

The IUPAC name of 6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide (CID 155176929) is 6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide.

What is the SMILES notation for 6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide?

The canonical SMILES for 6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide is CN1CCC(CN(C)C(=O)N2CCn3cc(-c4[nH][nH]c(=O)c4-c4cnc5ccccn45)c4cc(C#N)cc(c43)C2)CC1.

What is the InChIKey of 6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide?

The InChIKey is WZZOPLZNYYCMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N9O2/c1-36-9-6-20(7-10-36)17-37(2)31(42)39-12-11-38-19-24(23-14-21(15-32)13-22(18-39)29(23)38)28-27(30(41)35-34-28)25-16-33-26-5-3-4-8-40(25)26/h3-5,8,13-14,16,19-20H,6-7,9-12,17-18H2,1-2H3,(H2,34,35,41).

What are the key properties of 6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide?

6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide has a molecular weight of 563.67 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide is sourced from PubChem (CID 155176929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).