6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen

C20H26F2N4O2 — CID 176993893

IUPAC6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen
SMILESCC.N#Cc1ccc2cc(C(=O)NCC(=O)N3CC[C@@]4(C3)CC4(F)F)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C18H16F2N4O2.C2H6.2H2/c19-18(20)9-17(18)3-4-24(10-17)15(25)8-22-16(26)14-6-12-2-1-11(7-21)5-13(12)23-14;1-2;;/h1-2,5-6,23H,3-4,8-10H2,(H,22,26);1-2H3;2*1H/t17-;;;/m0.../s1
InChIKeyVBULUONBDIFJQV-FCQHKQNSSA-N
MW392.45 g/mol
LogP3.55
Rot. Bonds3

About 6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen

6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen (PubChem CID 176993893) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is 6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen
PubChem CID176993893
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC Name6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen
SMILESCC.N#Cc1ccc2cc(C(=O)NCC(=O)N3CC[C@@]4(C3)CC4(F)F)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C18H16F2N4O2.C2H6.2H2/c19-18(20)9-17(18)3-4-24(10-17)15(25)8-22-16(26)14-6-12-2-1-11(7-21)5-13(12)23-14;1-2;;/h1-2,5-6,23H,3-4,8-10H2,(H,22,26);1-2H3;2*1H/t17-;;;/m0.../s1
InChIKeyVBULUONBDIFJQV-FCQHKQNSSA-N
XLogP3.55
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen with MolForge

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Related Compounds

1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257010
5,6-dichloro-N-[(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 176994011
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 176993906
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane
CID 176993954
4-[3-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]benzonitrile
CID 131703347
4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide
CID 145307892
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide
CID 176993985
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 86881883
N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90012764
N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 176993901
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CID 162364764

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen?
The IUPAC name of 6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen (CID 176993893) is 6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for 6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for 6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen is CC.N#Cc1ccc2cc(C(=O)NCC(=O)N3CC[C@@]4(C3)CC4(F)F)[nH]c2c1.[H][H].[H][H].
What is the InChIKey of 6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen?
The InChIKey is VBULUONBDIFJQV-FCQHKQNSSA-N. The full InChI is InChI=1S/C18H16F2N4O2.C2H6.2H2/c19-18(20)9-17(18)3-4-24(10-17)15(25)8-22-16(26)14-6-12-2-1-11(7-21)5-13(12)23-14;1-2;;/h1-2,5-6,23H,3-4,8-10H2,(H,22,26);1-2H3;2*1H/t17-;;;/m0.../s1.
What are the key properties of 6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen?
6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen has a molecular weight of 392.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 176993893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).