N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C15H18F3N5O3S — CID 118743183

IUPACN,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)c1n[nH]c2c1CN(Cc1nccs1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H17N5OS.C2HF3O2/c1-17(2)13(19)12-9-7-18(5-3-10(9)15-16-12)8-11-14-4-6-20-11;3-2(4,5)1(6)7/h4,6H,3,5,7-8H2,1-2H3,(H,15,16);(H,6,7)
InChIKeyLNUQYGYAOHSFTN-UHFFFAOYSA-N
MW405.40 g/mol
LogP1.76
Rot. Bonds3

About N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743183) has the molecular formula C15H18F3N5O3S and a molecular weight of 405.40 g/mol. Its IUPAC name is N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743183
Molecular FormulaC15H18F3N5O3S
Molecular Weight405.40 g/mol
Exact Mass405.11
IUPAC NameN,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)c1n[nH]c2c1CN(Cc1nccs1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H17N5OS.C2HF3O2/c1-17(2)13(19)12-9-7-18(5-3-10(9)15-16-12)8-11-14-4-6-20-11;3-2(4,5)1(6)7/h4,6H,3,5,7-8H2,1-2H3,(H,15,16);(H,6,7)
InChIKeyLNUQYGYAOHSFTN-UHFFFAOYSA-N
XLogP1.76
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97381235
(4-Methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388961
N,N-dimethyl-6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 97388981
(4-Methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97389001
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461840
Morpholin-4-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97461908
Pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 118744060
5-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 125525000
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72112506
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 120469613
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 120469614
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 120470134

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 118743183) is N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)c1n[nH]c2c1CN(Cc1nccs1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LNUQYGYAOHSFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS.C2HF3O2/c1-17(2)13(19)12-9-7-18(5-3-10(9)15-16-12)8-11-14-4-6-20-11;3-2(4,5)1(6)7/h4,6H,3,5,7-8H2,1-2H3,(H,15,16);(H,6,7).
What are the key properties of N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 405.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).