2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid

C20H31F3N6O4 — CID 118743809

IUPAC2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN1CC2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(=O)N(C)C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H30N6O2.C2HF3O2/c1-5-23-13-18(8-16(23)25)12-22(11-15-9-19-21(4)10-15)6-7-24(14-18)17(26)20(2)3;3-2(4,5)1(6)7/h9-10H,5-8,11-14H2,1-4H3;(H,6,7)
InChIKeyUDORUOJFACRKEQ-UHFFFAOYSA-N
MW476.50 g/mol
LogP1.09
Rot. Bonds3

About 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid

2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743809) has the molecular formula C20H31F3N6O4 and a molecular weight of 476.50 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743809
Molecular FormulaC20H31F3N6O4
Molecular Weight476.50 g/mol
Exact Mass476.24
IUPAC Name2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN1CC2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(=O)N(C)C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H30N6O2.C2HF3O2/c1-5-23-13-18(8-16(23)25)12-22(11-15-9-19-21(4)10-15)6-7-24(14-18)17(26)20(2)3;3-2(4,5)1(6)7/h9-10H,5-8,11-14H2,1-4H3;(H,6,7)
InChIKeyUDORUOJFACRKEQ-UHFFFAOYSA-N
XLogP1.09
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 118743810
2-Methyl-10-(2-methylpropanoyl)-7-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118743817
7-Acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118744246
2-Ethyl-7-(2-methylpropanoyl)-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118744248
N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118745384
2-Methyl-10-(2-methylpropanoyl)-7-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743816
7-Acetyl-2-ethyl-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118744245
2-Ethyl-7-(2-methylpropanoyl)-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118744247
N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118745373
N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid
CID 118745383
N-[(1-methylpyrazol-4-yl)methyl]-4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 145887546
2-(2-Methylpropyl)-8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155827929

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid (CID 118743809) is 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid is CCN1CC2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(=O)N(C)C)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UDORUOJFACRKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2.C2HF3O2/c1-5-23-13-18(8-16(23)25)12-22(11-15-9-19-21(4)10-15)6-7-24(14-18)17(26)20(2)3;3-2(4,5)1(6)7/h9-10H,5-8,11-14H2,1-4H3;(H,6,7).
What are the key properties of 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid?
2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 476.50 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).