N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane

C20H25F3N4O2 — CID 176993954

IUPACN-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane
SMILESCC.O=C(NCC(=O)N1CCC2(CC1)CC2)c1cc2cc(C(F)(F)F)cnc2[nH]1
InChIInChI=1S/C18H19F3N4O2.C2H6/c19-18(20,21)12-7-11-8-13(24-15(11)22-9-12)16(27)23-10-14(26)25-5-3-17(1-2-17)4-6-25;1-2/h7-9H,1-6,10H2,(H,22,24)(H,23,27);1-2H3
InChIKeyJUTAPIKXPMQFDT-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.74
Rot. Bonds3

About N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane

N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane (PubChem CID 176993954) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane
PubChem CID176993954
Molecular FormulaC20H25F3N4O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC NameN-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane
SMILESCC.O=C(NCC(=O)N1CCC2(CC1)CC2)c1cc2cc(C(F)(F)F)cnc2[nH]1
InChIInChI=1S/C18H19F3N4O2.C2H6/c19-18(20,21)12-7-11-8-13(24-15(11)22-9-12)16(27)23-10-14(26)25-5-3-17(1-2-17)4-6-25;1-2/h7-9H,1-6,10H2,(H,22,24)(H,23,27);1-2H3
InChIKeyJUTAPIKXPMQFDT-UHFFFAOYSA-N
XLogP3.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 176993906
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 176994031
5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 176993838
N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 176993901
3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 26661615
N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273994
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
5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide
CID 176993985
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 176994015
N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273384
1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257010
3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 27826541

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane?
The IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane (CID 176993954) is N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane.
What is the SMILES notation for N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane?
The canonical SMILES for N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane is CC.O=C(NCC(=O)N1CCC2(CC1)CC2)c1cc2cc(C(F)(F)F)cnc2[nH]1.
What is the InChIKey of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane?
The InChIKey is JUTAPIKXPMQFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2.C2H6/c19-18(20,21)12-7-11-8-13(24-15(11)22-9-12)16(27)23-10-14(26)25-5-3-17(1-2-17)4-6-25;1-2/h7-9H,1-6,10H2,(H,22,24)(H,23,27);1-2H3.
What are the key properties of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane?
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane has a molecular weight of 410.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 176993954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).