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

C28H25Cl3N4O2 — CID 46888750

IUPACN-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)c1C
InChIInChI=1S/C28H25Cl3N4O2/c1-14-15(2)34-35-24(14)26(36)32-23-13-28(3,4)37-27-21(23)12-20(16-5-7-17(29)8-6-16)25(33-27)19-10-9-18(30)11-22(19)31/h5-12,23H,13H2,1-4H3,(H,32,36)(H,34,35)/t23-/m1/s1
InChIKeySXPIENJWEFLRFA-HSZRJFAPSA-N
MW555.89 g/mol
LogP7.75
Rot. Bonds4

About N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,5-dimethyl-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]-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 46888750) 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]-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID46888750
Molecular FormulaC28H25Cl3N4O2
Molecular Weight555.89 g/mol
Exact Mass554.10
IUPAC NameN-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)c1C
InChIInChI=1S/C28H25Cl3N4O2/c1-14-15(2)34-35-24(14)26(36)32-23-13-28(3,4)37-27-21(23)12-20(16-5-7-17(29)8-6-16)25(33-27)19-10-9-18(30)11-22(19)31/h5-12,23H,13H2,1-4H3,(H,32,36)(H,34,35)/t23-/m1/s1
InChIKeySXPIENJWEFLRFA-HSZRJFAPSA-N
XLogP7.75
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.89
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]-4,5-dimethyl-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]-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 46888750) is N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,5-dimethyl-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]-4,5-dimethyl-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]-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)c1C.
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]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is SXPIENJWEFLRFA-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H25Cl3N4O2/c1-14-15(2)34-35-24(14)26(36)32-23-13-28(3,4)37-27-21(23)12-20(16-5-7-17(29)8-6-16)25(33-27)19-10-9-18(30)11-22(19)31/h5-12,23H,13H2,1-4H3,(H,32,36)(H,34,35)/t23-/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]-4,5-dimethyl-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]-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 555.89 g/mol, XLogP of 7.75, 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]-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46888750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).