2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide

C27H24N6O — CID 91407920

About 2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide (PubChem CID 91407920) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide
• PubChem CID: 91407920
• Molecular Formula: C27H24N6O
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.20
• IUPAC Name: 2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2cccc(Cc3ccc4c(C=Cc5ccccn5)n[nH]c4c3)c2)n(C)n1
• InChI: InChI=1S/C27H24N6O/c1-18-14-26(33(2)32-18)27(34)29-22-8-5-6-19(16-22)15-20-9-11-23-24(30-31-25(23)17-20)12-10-21-7-3-4-13-28-21/h3-14,16-17H,15H2,1-2H3,(H,29,34)(H,30,31)
• InChIKey: JGELXJUOKYYIEQ-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide?

The IUPAC name of 2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide (CID 91407920) is 2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Cc3ccc4c(C=Cc5ccccn5)n[nH]c4c3)c2)n(C)n1.

What is the InChIKey of 2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide?

The InChIKey is JGELXJUOKYYIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-18-14-26(33(2)32-18)27(34)29-22-8-5-6-19(16-22)15-20-9-11-23-24(30-31-25(23)17-20)12-10-21-7-3-4-13-28-21/h3-14,16-17H,15H2,1-2H3,(H,29,34)(H,30,31).

What are the key properties of 2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide?

2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91407920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).