N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide

C30H23Cl3N4O2 — CID 46888386

About N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide

N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide (PubChem CID 46888386) has the molecular formula C30H23Cl3N4O2 and a molecular weight of 577.90 g/mol. Its IUPAC name is N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide
• PubChem CID: 46888386
• Molecular Formula: C30H23Cl3N4O2
• Molecular Weight: 577.90 g/mol
• Exact Mass: 576.09
• IUPAC Name: N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide
• SMILES: CC1(C)C[C@@H](NC(=O)c2cccc3[nH]ncc23)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
• InChI: InChI=1S/C30H23Cl3N4O2/c1-30(2)14-26(35-28(38)19-4-3-5-25-23(19)15-34-37-25)22-13-21(16-6-8-17(31)9-7-16)27(36-29(22)39-30)20-11-10-18(32)12-24(20)33/h3-13,15,26H,14H2,1-2H3,(H,34,37)(H,35,38)/t26-/m1/s1
• InChIKey: AOKUIPSHLAAXQK-AREMUKBSSA-N
• XLogP: 8.28
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.90
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide?

The IUPAC name of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide (CID 46888386) is N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide.

What is the SMILES notation for N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide?

The canonical SMILES for N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide is CC1(C)C[C@@H](NC(=O)c2cccc3[nH]ncc23)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1.

What is the InChIKey of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide?

The InChIKey is AOKUIPSHLAAXQK-AREMUKBSSA-N. The full InChI is InChI=1S/C30H23Cl3N4O2/c1-30(2)14-26(35-28(38)19-4-3-5-25-23(19)15-34-37-25)22-13-21(16-6-8-17(31)9-7-16)27(36-29(22)39-30)20-11-10-18(32)12-24(20)33/h3-13,15,26H,14H2,1-2H3,(H,34,37)(H,35,38)/t26-/m1/s1.

What are the key properties of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide?

N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide has a molecular weight of 577.90 g/mol, XLogP of 8.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-indazole-4-carboxamide is sourced from PubChem (CID 46888386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).