N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide

C28H25Cl3N4O2 — CID 46888748

About N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide

N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 46888748) has the molecular formula C28H25Cl3N4O2 and a molecular weight of 555.89 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]-5-ethyl-1H-pyrazole-3-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]-5-ethyl-1H-pyrazole-3-carboxamide
• PubChem CID: 46888748
• Molecular Formula: C28H25Cl3N4O2
• Molecular Weight: 555.89 g/mol
• Exact Mass: 554.10
• IUPAC Name: N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide
• SMILES: CCc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)n[nH]1
• InChI: InChI=1S/C28H25Cl3N4O2/c1-4-18-12-23(35-34-18)26(36)32-24-14-28(2,3)37-27-21(24)13-20(15-5-7-16(29)8-6-15)25(33-27)19-10-9-17(30)11-22(19)31/h5-13,24H,4,14H2,1-3H3,(H,32,36)(H,34,35)/t24-/m1/s1
• InChIKey: QRLAIUSGKUVHBM-XMMPIXPASA-N
• XLogP: 7.69
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.89
LogP ≤ 5	7.69
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]-5-ethyl-1H-pyrazole-3-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]-5-ethyl-1H-pyrazole-3-carboxamide (CID 46888748) is N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-5-ethyl-1H-pyrazole-3-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]-5-ethyl-1H-pyrazole-3-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]-5-ethyl-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)n[nH]1.

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]-5-ethyl-1H-pyrazole-3-carboxamide?

The InChIKey is QRLAIUSGKUVHBM-XMMPIXPASA-N. The full InChI is InChI=1S/C28H25Cl3N4O2/c1-4-18-12-23(35-34-18)26(36)32-24-14-28(2,3)37-27-21(24)13-20(15-5-7-16(29)8-6-15)25(33-27)19-10-9-17(30)11-22(19)31/h5-13,24H,4,14H2,1-3H3,(H,32,36)(H,34,35)/t24-/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]-5-ethyl-1H-pyrazole-3-carboxamide?

N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 555.89 g/mol, XLogP of 7.69, 5 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]-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46888748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).