2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C19H18F2N4OS — CID 11951726

IUPAC2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)c(F)c3)sc12
InChIInChI=1S/C19H18F2N4OS/c20-14-4-3-10(6-15(14)21)16-7-12-17(27-16)13(18(22)26)9-24-19(12)25-11-2-1-5-23-8-11/h3-4,6-7,9,11,23H,1-2,5,8H2,(H2,22,26)(H,24,25)/t11-/m0/s1
InChIKeyGTJMIQXXZXFGFE-NSHDSACASA-N
MW388.44 g/mol
LogP3.50
Rot. Bonds4

About 2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 11951726) has the molecular formula C19H18F2N4OS and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID11951726
Molecular FormulaC19H18F2N4OS
Molecular Weight388.44 g/mol
Exact Mass388.12
IUPAC Name2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)c(F)c3)sc12
InChIInChI=1S/C19H18F2N4OS/c20-14-4-3-10(6-15(14)21)16-7-12-17(27-16)13(18(22)26)9-24-19(12)25-11-2-1-5-23-8-11/h3-4,6-7,9,11,23H,1-2,5,8H2,(H2,22,26)(H,24,25)/t11-/m0/s1
InChIKeyGTJMIQXXZXFGFE-NSHDSACASA-N
XLogP3.50
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide with MolForge

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Related Compounds

4-Amino-2-[4-(Tert-Butylsulfamoyl)phenyl]-N-Methylthieno[3,2-C]pyridine-7-Carboxamide
CID 53497572
2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
CID 11951723
Chk1-IN-2
CID 11951901
2-(4-Chlorophenyl)-4-[(3s)-Piperidin-3-Ylamino]thieno[3,2-C]pyridine-7-Carboxamide
CID 44133237
4-Amino-N-Methyl-2-[4-(Morpholin-4-Yl)phenyl]thieno[3,2-C]pyridine-7-Carboxamide
CID 53497571
N-[1-[[(2R)-1-oxo-1-[[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 10122346
4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 18450846
3-(5-ethylthiophen-2-yl)-2-[5-(2-fluoro-3-pyridinyl)pyrimidin-2-yl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492971
4-Aminothieno[3,2-C]pyridine-2,7-Dicarboxamide
CID 72206638
(S)-2-(4-carbamoylphenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 50925625
(S)-2-(4-(dimethylcarbamoyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 50925626
N-[2-(dimethylamino)ethyl]-3-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127025790

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 11951726) is 2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)c(F)c3)sc12.
What is the InChIKey of 2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is GTJMIQXXZXFGFE-NSHDSACASA-N. The full InChI is InChI=1S/C19H18F2N4OS/c20-14-4-3-10(6-15(14)21)16-7-12-17(27-16)13(18(22)26)9-24-19(12)25-11-2-1-5-23-8-11/h3-4,6-7,9,11,23H,1-2,5,8H2,(H2,22,26)(H,24,25)/t11-/m0/s1.
What are the key properties of 2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 11951726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).