7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide

C32H31ClN2O5 — CID 121473537

IUPAC7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCC1(C)OCC2(CC(n3cc(C(=O)COc4cc5ccc(Cl)cc5cc4C(N)=O)c4ccc(C5CC5)cc43)C2)O1
InChIInChI=1S/C32H31ClN2O5/c1-31(2)39-17-32(40-31)13-23(14-32)35-15-26(24-8-6-19(11-27(24)35)18-3-4-18)28(36)16-38-29-12-20-5-7-22(33)9-21(20)10-25(29)30(34)37/h5-12,15,18,23H,3-4,13-14,16-17H2,1-2H3,(H2,34,37)
InChIKeyYREPIRXBBSCYIJ-UHFFFAOYSA-N
MW559.06 g/mol
LogP6.54
Rot. Bonds7

About 7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide

7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 121473537) has the molecular formula C32H31ClN2O5 and a molecular weight of 559.06 g/mol. Its IUPAC name is 7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID121473537
Molecular FormulaC32H31ClN2O5
Molecular Weight559.06 g/mol
Exact Mass558.19
IUPAC Name7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCC1(C)OCC2(CC(n3cc(C(=O)COc4cc5ccc(Cl)cc5cc4C(N)=O)c4ccc(C5CC5)cc43)C2)O1
InChIInChI=1S/C32H31ClN2O5/c1-31(2)39-17-32(40-31)13-23(14-32)35-15-26(24-8-6-19(11-27(24)35)18-3-4-18)28(36)16-38-29-12-20-5-7-22(33)9-21(20)10-25(29)30(34)37/h5-12,15,18,23H,3-4,13-14,16-17H2,1-2H3,(H2,34,37)
InChIKeyYREPIRXBBSCYIJ-UHFFFAOYSA-N
XLogP6.54
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.06
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of 7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide (CID 121473537) is 7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for 7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for 7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide is CC1(C)OCC2(CC(n3cc(C(=O)COc4cc5ccc(Cl)cc5cc4C(N)=O)c4ccc(C5CC5)cc43)C2)O1.
What is the InChIKey of 7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is YREPIRXBBSCYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClN2O5/c1-31(2)39-17-32(40-31)13-23(14-32)35-15-26(24-8-6-19(11-27(24)35)18-3-4-18)28(36)16-38-29-12-20-5-7-22(33)9-21(20)10-25(29)30(34)37/h5-12,15,18,23H,3-4,13-14,16-17H2,1-2H3,(H2,34,37).
What are the key properties of 7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 559.06 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-[6-cyclopropyl-1-(6,6-dimethyl-5,7-dioxaspiro[3.4]octan-2-yl)indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 121473537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).