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

C27H24Cl2N4O2 — CID 67020246

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

N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 67020246) has the molecular formula C27H24Cl2N4O2 and a molecular weight of 507.42 g/mol. Its IUPAC name is N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide
• PubChem CID: 67020246
• Molecular Formula: C27H24Cl2N4O2
• Molecular Weight: 507.42 g/mol
• Exact Mass: 506.13
• IUPAC Name: N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide
• SMILES: Cc1cn[nH]c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21
• InChI: InChI=1S/C27H24Cl2N4O2/c1-15-14-30-33-23(15)25(34)31-22-13-27(2,3)35-26-20(22)12-19(16-8-10-17(28)11-9-16)24(32-26)18-6-4-5-7-21(18)29/h4-12,14,22H,13H2,1-3H3,(H,30,33)(H,31,34)/t22-/m1/s1
• InChIKey: JVGMRYRMZDYXHC-JOCHJYFZSA-N
• XLogP: 6.79
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.42
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide (CID 67020246) is N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide is Cc1cn[nH]c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21.

What is the InChIKey of N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide?

The InChIKey is JVGMRYRMZDYXHC-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H24Cl2N4O2/c1-15-14-30-33-23(15)25(34)31-22-13-27(2,3)35-26-20(22)12-19(16-8-10-17(28)11-9-16)24(32-26)18-6-4-5-7-21(18)29/h4-12,14,22H,13H2,1-3H3,(H,30,33)(H,31,34)/t22-/m1/s1.

What are the key properties of N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide?

N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 507.42 g/mol, XLogP of 6.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 67020246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).