(1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine

C29H35F3N2O — CID 146864145

IUPAC(1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
SMILESCCCN1CC(Oc2cc(F)c([C@@H]3C4=C(C[C@@H](C)N3CC(C)(C)F)c3ccccc3C4)c(F)c2)C1
InChIInChI=1S/C29H35F3N2O/c1-5-10-33-15-21(16-33)35-20-13-25(30)27(26(31)14-20)28-24-12-19-8-6-7-9-22(19)23(24)11-18(2)34(28)17-29(3,4)32/h6-9,13-14,18,21,28H,5,10-12,15-17H2,1-4H3/t18-,28+/m1/s1
InChIKeySLKQTZRWKBPRLK-WRHNGFHOSA-N
MW484.61 g/mol
LogP6.33
Rot. Bonds7

About (1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine

(1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine (PubChem CID 146864145) has the molecular formula C29H35F3N2O and a molecular weight of 484.61 g/mol. Its IUPAC name is (1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine.

Molecular Properties

Compound Name(1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
PubChem CID146864145
Molecular FormulaC29H35F3N2O
Molecular Weight484.61 g/mol
Exact Mass484.27
IUPAC Name(1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
SMILESCCCN1CC(Oc2cc(F)c([C@@H]3C4=C(C[C@@H](C)N3CC(C)(C)F)c3ccccc3C4)c(F)c2)C1
InChIInChI=1S/C29H35F3N2O/c1-5-10-33-15-21(16-33)35-20-13-25(30)27(26(31)14-20)28-24-12-19-8-6-7-9-22(19)23(24)11-18(2)34(28)17-29(3,4)32/h6-9,13-14,18,21,28H,5,10-12,15-17H2,1-4H3/t18-,28+/m1/s1
InChIKeySLKQTZRWKBPRLK-WRHNGFHOSA-N
XLogP6.33
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.61
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine?
The IUPAC name of (1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine (CID 146864145) is (1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine.
What is the SMILES notation for (1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine?
The canonical SMILES for (1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine is CCCN1CC(Oc2cc(F)c([C@@H]3C4=C(C[C@@H](C)N3CC(C)(C)F)c3ccccc3C4)c(F)c2)C1.
What is the InChIKey of (1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine?
The InChIKey is SLKQTZRWKBPRLK-WRHNGFHOSA-N. The full InChI is InChI=1S/C29H35F3N2O/c1-5-10-33-15-21(16-33)35-20-13-25(30)27(26(31)14-20)28-24-12-19-8-6-7-9-22(19)23(24)11-18(2)34(28)17-29(3,4)32/h6-9,13-14,18,21,28H,5,10-12,15-17H2,1-4H3/t18-,28+/m1/s1.
What are the key properties of (1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine?
(1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine has a molecular weight of 484.61 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine is sourced from PubChem (CID 146864145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).