2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide

C28H30N6O2 — CID 42276002

About 2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide

2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide (PubChem CID 42276002) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide
• PubChem CID: 42276002
• Molecular Formula: C28H30N6O2
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.24
• IUPAC Name: 2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)N(C)Cc4n[nH]c5c4CCCC5)cc3)c2)c(C)c1
• InChI: InChI=1S/C28H30N6O2/c1-18-8-13-23(19(2)14-18)27(35)30-21-15-29-34(16-21)22-11-9-20(10-12-22)28(36)33(3)17-26-24-6-4-5-7-25(24)31-32-26/h8-16H,4-7,17H2,1-3H3,(H,30,35)(H,31,32)
• InChIKey: YTQOYLCRBZQVRI-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide?

The IUPAC name of 2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide (CID 42276002) is 2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide.

What is the SMILES notation for 2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide?

The canonical SMILES for 2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)N(C)Cc4n[nH]c5c4CCCC5)cc3)c2)c(C)c1.

What is the InChIKey of 2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide?

The InChIKey is YTQOYLCRBZQVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-18-8-13-23(19(2)14-18)27(35)30-21-15-29-34(16-21)22-11-9-20(10-12-22)28(36)33(3)17-26-24-6-4-5-7-25(24)31-32-26/h8-16H,4-7,17H2,1-3H3,(H,30,35)(H,31,32).

What are the key properties of 2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide?

2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide has a molecular weight of 482.59 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 42276002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).