2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C20H21FN4O2S — CID 52948639

IUPAC2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESCOc1ccc(F)cc1-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1
InChIInChI=1S/C20H21FN4O2S/c1-27-16-5-4-11(21)7-13(16)17-8-14-18(28-17)15(19(22)26)10-24-20(14)25-12-3-2-6-23-9-12/h4-5,7-8,10,12,23H,2-3,6,9H2,1H3,(H2,22,26)(H,24,25)/t12-/m0/s1
InChIKeyUGAFJGKBZNZCLD-LBPRGKRZSA-N
MW400.48 g/mol
LogP3.37
Rot. Bonds5

About 2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52948639) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52948639
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESCOc1ccc(F)cc1-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1
InChIInChI=1S/C20H21FN4O2S/c1-27-16-5-4-11(21)7-13(16)17-8-14-18(28-17)15(19(22)26)10-24-20(14)25-12-3-2-6-23-9-12/h4-5,7-8,10,12,23H,2-3,6,9H2,1H3,(H2,22,26)(H,24,25)/t12-/m0/s1
InChIKeyUGAFJGKBZNZCLD-LBPRGKRZSA-N
XLogP3.37
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide with MolForge

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Related Compounds

2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
CID 11951723
N-[2-(dimethylamino)ethyl]-4-methoxy-3-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127024862
N-[2-(dimethylamino)ethyl]-3-methoxy-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127026710
6-(2-Amino-4-pyridinyl)-3-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 156021995
(S)-2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 11951725
(S)-2-(3,4-difluorophenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 11951726
(S)-2-(4-methoxyphenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52942478
(S)-2-(2-methoxyphenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52944876
2-(3-Methoxyphenyl)-4-((S)-piperidin-3-ylamino)thieno[3,2-C]pyridine-7-carboxamide
CID 52946076
(S)-2-(3-(hydroxymethyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52946090
(S)-2-(benzofuran-2-yl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52947383
(S)-2-(4-phenoxyphenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52948563

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 52948639) is 2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is COc1ccc(F)cc1-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is UGAFJGKBZNZCLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c1-27-16-5-4-11(21)7-13(16)17-8-14-18(28-17)15(19(22)26)10-24-20(14)25-12-3-2-6-23-9-12/h4-5,7-8,10,12,23H,2-3,6,9H2,1H3,(H2,22,26)(H,24,25)/t12-/m0/s1.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52948639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).