5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide

C27H31BrF2N4O — CID 171487913

IUPAC5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(Nc1cccc(N2CCC(F)(F)CC2)n1)c1c(N2CCC3(CC2)CC3)cc(Br)c2c1CCC2
InChIInChI=1S/C27H31BrF2N4O/c28-20-17-21(33-13-9-26(7-8-26)10-14-33)24(19-4-1-3-18(19)20)25(35)32-22-5-2-6-23(31-22)34-15-11-27(29,30)12-16-34/h2,5-6,17H,1,3-4,7-16H2,(H,31,32,35)
InChIKeyMBXTXMBWNVUIIY-UHFFFAOYSA-N
MW545.47 g/mol
LogP6.20
Rot. Bonds4

About 5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide

5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 171487913) has the molecular formula C27H31BrF2N4O and a molecular weight of 545.47 g/mol. Its IUPAC name is 5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID171487913
Molecular FormulaC27H31BrF2N4O
Molecular Weight545.47 g/mol
Exact Mass544.16
IUPAC Name5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(Nc1cccc(N2CCC(F)(F)CC2)n1)c1c(N2CCC3(CC2)CC3)cc(Br)c2c1CCC2
InChIInChI=1S/C27H31BrF2N4O/c28-20-17-21(33-13-9-26(7-8-26)10-14-33)24(19-4-1-3-18(19)20)25(35)32-22-5-2-6-23(31-22)34-15-11-27(29,30)12-16-34/h2,5-6,17H,1,3-4,7-16H2,(H,31,32,35)
InChIKeyMBXTXMBWNVUIIY-UHFFFAOYSA-N
XLogP6.20
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.47
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of 5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide (CID 171487913) is 5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for 5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for 5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide is O=C(Nc1cccc(N2CCC(F)(F)CC2)n1)c1c(N2CCC3(CC2)CC3)cc(Br)c2c1CCC2.
What is the InChIKey of 5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is MBXTXMBWNVUIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31BrF2N4O/c28-20-17-21(33-13-9-26(7-8-26)10-14-33)24(19-4-1-3-18(19)20)25(35)32-22-5-2-6-23(31-22)34-15-11-27(29,30)12-16-34/h2,5-6,17H,1,3-4,7-16H2,(H,31,32,35).
What are the key properties of 5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide?
5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 545.47 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 171487913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).