[7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone

C24H24ClF3N2O5 — CID 121387753

IUPAC[7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone
SMILESCOc1nc(C(=O)N2CCC3(c4cccc(Cl)c4)OCOC3C2)ccc1OCC1(C(F)(F)F)CC1
InChIInChI=1S/C24H24ClF3N2O5/c1-32-20-18(33-13-22(7-8-22)24(26,27)28)6-5-17(29-20)21(31)30-10-9-23(19(12-30)34-14-35-23)15-3-2-4-16(25)11-15/h2-6,11,19H,7-10,12-14H2,1H3
InChIKeyORPSWWAZFIIFBF-UHFFFAOYSA-N
MW512.91 g/mol
LogP4.58
Rot. Bonds6

About [7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone

[7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone (PubChem CID 121387753) has the molecular formula C24H24ClF3N2O5 and a molecular weight of 512.91 g/mol. Its IUPAC name is [7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone.

Molecular Properties

Compound Name[7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone
PubChem CID121387753
Molecular FormulaC24H24ClF3N2O5
Molecular Weight512.91 g/mol
Exact Mass512.13
IUPAC Name[7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone
SMILESCOc1nc(C(=O)N2CCC3(c4cccc(Cl)c4)OCOC3C2)ccc1OCC1(C(F)(F)F)CC1
InChIInChI=1S/C24H24ClF3N2O5/c1-32-20-18(33-13-22(7-8-22)24(26,27)28)6-5-17(29-20)21(31)30-10-9-23(19(12-30)34-14-35-23)15-3-2-4-16(25)11-15/h2-6,11,19H,7-10,12-14H2,1H3
InChIKeyORPSWWAZFIIFBF-UHFFFAOYSA-N
XLogP4.58
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.91
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone with MolForge

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Related Compounds

[7a-(3-fluorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methanone
CID 121387680
[(3aR,7aR)-7a-(3-fluorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[5-[(4,4-difluorocyclohexyl)methoxy]-6-methoxy-2-pyridinyl]methanone
CID 138473888
[(3aR,7aR)-7a-(3-fluorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[(2,2,3,3-tetrafluorocyclobutyl)methoxy]-2-pyridinyl]methanone
CID 153321321
[(7aR)-7a-(2,3-difluorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]methanone
CID 121387508
[(7aR)-7a-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[5-[(3,3-difluorocyclobutyl)methoxy]-6-methoxy-2-pyridinyl]methanone
CID 121387522
[(7aR)-2,2-dideuterio-7a-phenyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methanone
CID 121387403
6-[[6-[(3aR,7aR)-7a-(3-fluorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-3-pyridinyl]oxymethyl]bicyclo[3.1.0]hexan-3-one;[(3aR,7aR)-7a-(3-fluorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[5-[(3-hydroxy-6-bicyclo[3.1.0]hexanyl)methoxy]-6-methoxy-2-pyridinyl]methanone;deuterioethane;deuteriomethylphosphane
CID 158295472
[7a-(2-methyl-1,3-thiazol-4-yl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methanone
CID 121387601
[(7aR)-7a-(2,3-difluorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanone
CID 138473857
[(7aS)-7a-(3-fluorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[3-chloro-4-(2-fluoro-2-methylpropoxy)phenyl]methanone
CID 121387464
[(7aR)-7a-(3-fluorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methanone
CID 121387471
[(7aR)-7a-phenyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[4-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone
CID 121387320

Frequently Asked Questions

What is the IUPAC name of [7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone?
The IUPAC name of [7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone (CID 121387753) is [7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone.
What is the SMILES notation for [7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone?
The canonical SMILES for [7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone is COc1nc(C(=O)N2CCC3(c4cccc(Cl)c4)OCOC3C2)ccc1OCC1(C(F)(F)F)CC1.
What is the InChIKey of [7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone?
The InChIKey is ORPSWWAZFIIFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N2O5/c1-32-20-18(33-13-22(7-8-22)24(26,27)28)6-5-17(29-20)21(31)30-10-9-23(19(12-30)34-14-35-23)15-3-2-4-16(25)11-15/h2-6,11,19H,7-10,12-14H2,1H3.
What are the key properties of [7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone?
[7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone has a molecular weight of 512.91 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7a-(3-chlorophenyl)-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-[6-methoxy-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-pyridinyl]methanone is sourced from PubChem (CID 121387753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).