2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one

C25H29F2N5O — CID 167190734

IUPAC2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1(C)Cc2[nH]nc(-c3cc4ccc(N5CCC6(CCNCC6)C5=O)cc4[nH]3)c2CC1(F)F
InChIInChI=1S/C25H29F2N5O/c1-23(2)14-20-17(13-25(23,26)27)21(31-30-20)19-11-15-3-4-16(12-18(15)29-19)32-10-7-24(22(32)33)5-8-28-9-6-24/h3-4,11-12,28-29H,5-10,13-14H2,1-2H3,(H,30,31)
InChIKeyWYGMHPHRXLQAGQ-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.42
Rot. Bonds2

About 2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one

2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 167190734) has the molecular formula C25H29F2N5O and a molecular weight of 453.54 g/mol. Its IUPAC name is 2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID167190734
Molecular FormulaC25H29F2N5O
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1(C)Cc2[nH]nc(-c3cc4ccc(N5CCC6(CCNCC6)C5=O)cc4[nH]3)c2CC1(F)F
InChIInChI=1S/C25H29F2N5O/c1-23(2)14-20-17(13-25(23,26)27)21(31-30-20)19-11-15-3-4-16(12-18(15)29-19)32-10-7-24(22(32)33)5-8-28-9-6-24/h3-4,11-12,28-29H,5-10,13-14H2,1-2H3,(H,30,31)
InChIKeyWYGMHPHRXLQAGQ-UHFFFAOYSA-N
XLogP4.42
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 167190734) is 2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one is CC1(C)Cc2[nH]nc(-c3cc4ccc(N5CCC6(CCNCC6)C5=O)cc4[nH]3)c2CC1(F)F.
What is the InChIKey of 2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is WYGMHPHRXLQAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O/c1-23(2)14-20-17(13-25(23,26)27)21(31-30-20)19-11-15-3-4-16(12-18(15)29-19)32-10-7-24(22(32)33)5-8-28-9-6-24/h3-4,11-12,28-29H,5-10,13-14H2,1-2H3,(H,30,31).
What are the key properties of 2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one?
2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 453.54 g/mol, XLogP of 4.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazol-3-yl)-1H-indol-6-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 167190734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).