1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide

C33H36F2N4O2 — CID 143869666

IUPAC1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC1CNC2(CCCC2)C(=O)N1C/C=C/c1ccc2c(c1)CC(C(=O)Nc1ccccn1)C2.Fc1cccc(F)c1
InChIInChI=1S/C27H32N4O2.C6H4F2/c1-19-18-29-27(11-3-4-12-27)26(33)31(19)14-6-7-20-9-10-21-16-23(17-22(21)15-20)25(32)30-24-8-2-5-13-28-24;7-5-2-1-3-6(8)4-5/h2,5-10,13,15,19,23,29H,3-4,11-12,14,16-18H2,1H3,(H,28,30,32);1-4H/b7-6+;
InChIKeyLHNKBRZTLHVFIZ-UHDJGPCESA-N
MW558.67 g/mol
LogP5.55
Rot. Bonds5

About 1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide

1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 143869666) has the molecular formula C33H36F2N4O2 and a molecular weight of 558.67 g/mol. Its IUPAC name is 1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID143869666
Molecular FormulaC33H36F2N4O2
Molecular Weight558.67 g/mol
Exact Mass558.28
IUPAC Name1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC1CNC2(CCCC2)C(=O)N1C/C=C/c1ccc2c(c1)CC(C(=O)Nc1ccccn1)C2.Fc1cccc(F)c1
InChIInChI=1S/C27H32N4O2.C6H4F2/c1-19-18-29-27(11-3-4-12-27)26(33)31(19)14-6-7-20-9-10-21-16-23(17-22(21)15-20)25(32)30-24-8-2-5-13-28-24;7-5-2-1-3-6(8)4-5/h2,5-10,13,15,19,23,29H,3-4,11-12,14,16-18H2,1H3,(H,28,30,32);1-4H/b7-6+;
InChIKeyLHNKBRZTLHVFIZ-UHDJGPCESA-N
XLogP5.55
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.67
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (CID 143869666) is 1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is CC1CNC2(CCCC2)C(=O)N1C/C=C/c1ccc2c(c1)CC(C(=O)Nc1ccccn1)C2.Fc1cccc(F)c1.
What is the InChIKey of 1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is LHNKBRZTLHVFIZ-UHDJGPCESA-N. The full InChI is InChI=1S/C27H32N4O2.C6H4F2/c1-19-18-29-27(11-3-4-12-27)26(33)31(19)14-6-7-20-9-10-21-16-23(17-22(21)15-20)25(32)30-24-8-2-5-13-28-24;7-5-2-1-3-6(8)4-5/h2,5-10,13,15,19,23,29H,3-4,11-12,14,16-18H2,1H3,(H,28,30,32);1-4H/b7-6+;.
What are the key properties of 1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 558.67 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorobenzene;5-[(E)-3-(8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)prop-1-enyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 143869666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).