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

C26H21Cl3N4O2 — CID 46888776

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

N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 46888776) has the molecular formula C26H21Cl3N4O2 and a molecular weight of 527.84 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-pyrazole-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-pyrazole-4-carboxamide
• PubChem CID: 46888776
• Molecular Formula: C26H21Cl3N4O2
• Molecular Weight: 527.84 g/mol
• Exact Mass: 526.07
• IUPAC Name: N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-4-carboxamide
• SMILES: CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
• InChI: InChI=1S/C26H21Cl3N4O2/c1-26(2)11-22(32-24(34)15-12-30-31-13-15)20-10-19(14-3-5-16(27)6-4-14)23(33-25(20)35-26)18-8-7-17(28)9-21(18)29/h3-10,12-13,22H,11H2,1-2H3,(H,30,31)(H,32,34)/t22-/m1/s1
• InChIKey: XQRZVIKHJWAVPW-JOCHJYFZSA-N
• XLogP: 7.13
• 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	527.84
LogP ≤ 5	7.13
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-pyrazole-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-pyrazole-4-carboxamide (CID 46888776) is N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-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-pyrazole-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-pyrazole-4-carboxamide is CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)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-pyrazole-4-carboxamide?

The InChIKey is XQRZVIKHJWAVPW-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H21Cl3N4O2/c1-26(2)11-22(32-24(34)15-12-30-31-13-15)20-10-19(14-3-5-16(27)6-4-14)23(33-25(20)35-26)18-8-7-17(28)9-21(18)29/h3-10,12-13,22H,11H2,1-2H3,(H,30,31)(H,32,34)/t22-/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-pyrazole-4-carboxamide?

N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 527.84 g/mol, XLogP of 7.13, 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-pyrazole-4-carboxamide is sourced from PubChem (CID 46888776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).