N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

C26H24N6O2 — CID 123416616

About N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 123416616) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
• PubChem CID: 123416616
• Molecular Formula: C26H24N6O2
• Molecular Weight: 452.52 g/mol
• Exact Mass: 452.20
• IUPAC Name: N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
• SMILES: CN(C)C1CC=C(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)C=N1
• InChI: InChI=1S/C26H24N6O2/c1-32(2)24-11-9-19(15-28-24)29-26(33)25-22-13-17(8-10-23(22)30-31-25)18-12-21(16-27-14-18)34-20-6-4-3-5-7-20/h3-10,12-16,24H,11H2,1-2H3,(H,29,33)(H,30,31)
• InChIKey: VAJNQJCEMPIOQO-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 95.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.52
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?

The IUPAC name of N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 123416616) is N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is CN(C)C1CC=C(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)C=N1.

What is the InChIKey of N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?

The InChIKey is VAJNQJCEMPIOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-32(2)24-11-9-19(15-28-24)29-26(33)25-22-13-17(8-10-23(22)30-31-25)18-12-21(16-27-14-18)34-20-6-4-3-5-7-20/h3-10,12-16,24H,11H2,1-2H3,(H,29,33)(H,30,31).

What are the key properties of N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?

N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2,3-dihydropyridin-5-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 123416616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).