N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C19H18F3N5O2S — CID 59520522

IUPACN-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3cnccc32)sc2c1CCCC2
InChIInChI=1S/C19H18F3N5O2S/c1-23-17(29)15-10-4-2-3-5-13(10)30-18(15)25-14(28)9-27-12-6-7-24-8-11(12)16(26-27)19(20,21)22/h6-8H,2-5,9H2,1H3,(H,23,29)(H,25,28)
InChIKeyFCDXRKNPLONION-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.39
Rot. Bonds4

About N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 59520522) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID59520522
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC NameN-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3cnccc32)sc2c1CCCC2
InChIInChI=1S/C19H18F3N5O2S/c1-23-17(29)15-10-4-2-3-5-13(10)30-18(15)25-14(28)9-27-12-6-7-24-8-11(12)16(26-27)19(20,21)22/h6-8H,2-5,9H2,1H3,(H,23,29)(H,25,28)
InChIKeyFCDXRKNPLONION-UHFFFAOYSA-N
XLogP3.39
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 52941978
2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7474786
2-(butanoylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7474783
N-(1,1-dioxothiolan-3-yl)-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 59520491
N-[3-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 52945134
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527328
1-[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 66875115
N-methyl-2-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475042
2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1222102
N-methyl-2-(3-phenylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7195556
2-(propanoylamino)-N-pyridin-3-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 23799076
ethane;N-methyl-2-(naphthalene-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 45124723

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 59520522) is N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CNC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3cnccc32)sc2c1CCCC2.
What is the InChIKey of N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is FCDXRKNPLONION-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c1-23-17(29)15-10-4-2-3-5-13(10)30-18(15)25-14(28)9-27-12-6-7-24-8-11(12)16(26-27)19(20,21)22/h6-8H,2-5,9H2,1H3,(H,23,29)(H,25,28).
What are the key properties of N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 59520522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).