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

C30H29Cl3N4O2 — CID 67020013

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

5-tert-butyl-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 67020013) has the molecular formula C30H29Cl3N4O2 and a molecular weight of 583.95 g/mol. Its IUPAC name is 5-tert-butyl-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-3-carboxamide
• PubChem CID: 67020013
• Molecular Formula: C30H29Cl3N4O2
• Molecular Weight: 583.95 g/mol
• Exact Mass: 582.14
• IUPAC Name: 5-tert-butyl-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-3-carboxamide
• SMILES: CC1(C)C[C@@H](NC(=O)c2cc(C(C)(C)C)[nH]n2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
• InChI: InChI=1S/C30H29Cl3N4O2/c1-29(2,3)25-14-23(36-37-25)27(38)34-24-15-30(4,5)39-28-21(24)13-20(16-6-8-17(31)9-7-16)26(35-28)19-11-10-18(32)12-22(19)33/h6-14,24H,15H2,1-5H3,(H,34,38)(H,36,37)/t24-/m1/s1
• InChIKey: GPHOZFXFEPYJGV-XMMPIXPASA-N
• XLogP: 8.43
• 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	583.95
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-3-carboxamide (CID 67020013) is 5-tert-butyl-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-3-carboxamide.

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

The canonical SMILES for 5-tert-butyl-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-3-carboxamide is CC1(C)C[C@@H](NC(=O)c2cc(C(C)(C)C)[nH]n2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1.

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

The InChIKey is GPHOZFXFEPYJGV-XMMPIXPASA-N. The full InChI is InChI=1S/C30H29Cl3N4O2/c1-29(2,3)25-14-23(36-37-25)27(38)34-24-15-30(4,5)39-28-21(24)13-20(16-6-8-17(31)9-7-16)26(35-28)19-11-10-18(32)12-22(19)33/h6-14,24H,15H2,1-5H3,(H,34,38)(H,36,37)/t24-/m1/s1.

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

5-tert-butyl-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 583.95 g/mol, XLogP of 8.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 67020013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).