2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide

C18H23F3N4O3S — CID 118744193

IUPAC2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1ccc(CN2CCc3c(C(=O)N(C)C)nn(C)c3C2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H22N4OS.C2HF3O2/c1-11-5-6-12(22-11)9-20-8-7-13-14(10-20)19(4)17-15(13)16(21)18(2)3;3-2(4,5)1(6)7/h5-6H,7-10H2,1-4H3;(H,6,7)
InChIKeyIAXHMWPRRDENGW-UHFFFAOYSA-N
MW432.47 g/mol
LogP2.68
Rot. Bonds3

About 2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide

2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118744193) has the molecular formula C18H23F3N4O3S and a molecular weight of 432.47 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118744193
Molecular FormulaC18H23F3N4O3S
Molecular Weight432.47 g/mol
Exact Mass432.14
IUPAC Name2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1ccc(CN2CCc3c(C(=O)N(C)C)nn(C)c3C2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H22N4OS.C2HF3O2/c1-11-5-6-12(22-11)9-20-8-7-13-14(10-20)19(4)17-15(13)16(21)18(2)3;3-2(4,5)1(6)7/h5-6H,7-10H2,1-4H3;(H,6,7)
InChIKeyIAXHMWPRRDENGW-UHFFFAOYSA-N
XLogP2.68
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 118744193) is 2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is Cc1ccc(CN2CCc3c(C(=O)N(C)C)nn(C)c3C2)s1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is IAXHMWPRRDENGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS.C2HF3O2/c1-11-5-6-12(22-11)9-20-8-7-13-14(10-20)19(4)17-15(13)16(21)18(2)3;3-2(4,5)1(6)7/h5-6H,7-10H2,1-4H3;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118744193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).