N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide

C23H21F3N4O2S — CID 58386007

IUPACN-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)cn2ncc(-c3csc(C(=O)NCCC(N)C(F)(F)F)c3)c12
InChIInChI=1S/C23H21F3N4O2S/c1-32-18-9-15(14-5-3-2-4-6-14)12-30-21(18)17(11-29-30)16-10-19(33-13-16)22(31)28-8-7-20(27)23(24,25)26/h2-6,9-13,20H,7-8,27H2,1H3,(H,28,31)
InChIKeyDOLPWEFHSNXAFI-UHFFFAOYSA-N
MW474.51 g/mol
LogP4.75
Rot. Bonds7

About N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide

N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide (PubChem CID 58386007) has the molecular formula C23H21F3N4O2S and a molecular weight of 474.51 g/mol. Its IUPAC name is N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide
PubChem CID58386007
Molecular FormulaC23H21F3N4O2S
Molecular Weight474.51 g/mol
Exact Mass474.13
IUPAC NameN-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)cn2ncc(-c3csc(C(=O)NCCC(N)C(F)(F)F)c3)c12
InChIInChI=1S/C23H21F3N4O2S/c1-32-18-9-15(14-5-3-2-4-6-14)12-30-21(18)17(11-29-30)16-10-19(33-13-16)22(31)28-8-7-20(27)23(24,25)26/h2-6,9-13,20H,7-8,27H2,1H3,(H,28,31)
InChIKeyDOLPWEFHSNXAFI-UHFFFAOYSA-N
XLogP4.75
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide (CID 58386007) is N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide is COc1cc(-c2ccccc2)cn2ncc(-c3csc(C(=O)NCCC(N)C(F)(F)F)c3)c12.
What is the InChIKey of N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide?
The InChIKey is DOLPWEFHSNXAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2S/c1-32-18-9-15(14-5-3-2-4-6-14)12-30-21(18)17(11-29-30)16-10-19(33-13-16)22(31)28-8-7-20(27)23(24,25)26/h2-6,9-13,20H,7-8,27H2,1H3,(H,28,31).
What are the key properties of N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide?
N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide has a molecular weight of 474.51 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58386007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).