5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide

C19H17F2N3O2S — CID 25128119

IUPAC5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3ccc(F)cn3)s2)c(F)c1
InChIInChI=1S/C19H17F2N3O2S/c1-10(9-25)11-2-4-13(15(21)6-11)16-7-14(18(22)26)19(27-16)24-17-5-3-12(20)8-23-17/h2-8,10,25H,9H2,1H3,(H2,22,26)(H,23,24)
InChIKeyDKKRCWZNEPEASL-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.03
Rot. Bonds6

About 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide

5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide (PubChem CID 25128119) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
PubChem CID25128119
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3ccc(F)cn3)s2)c(F)c1
InChIInChI=1S/C19H17F2N3O2S/c1-10(9-25)11-2-4-13(15(21)6-11)16-7-14(18(22)26)19(27-16)24-17-5-3-12(20)8-23-17/h2-8,10,25H,9H2,1H3,(H2,22,26)(H,23,24)
InChIKeyDKKRCWZNEPEASL-UHFFFAOYSA-N
XLogP4.03
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
CID 68741986
5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[3-(hydroxymethyl)morpholin-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68739143
5-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-2-[[2-(hydroxymethyl)pyrimidin-4-yl]amino]thiophene-3-carboxamide
CID 70911883
6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 59526137
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(hydroxymethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25123485
5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxyethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68738195
5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68736785
5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25126501
5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 90701683
2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide
CID 68736644
2-[[6-(1-cyano-3-hydroxypropyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]thiophene-3-carboxamide
CID 70911846
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525670

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide (CID 25128119) is 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide is CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3ccc(F)cn3)s2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?
The InChIKey is DKKRCWZNEPEASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-10(9-25)11-2-4-13(15(21)6-11)16-7-14(18(22)26)19(27-16)24-17-5-3-12(20)8-23-17/h2-8,10,25H,9H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?
5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 25128119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).