2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C21H20N4O2S — CID 52947383

IUPAC2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cc4ccccc4o3)sc12
InChIInChI=1S/C21H20N4O2S/c22-20(26)15-11-24-21(25-13-5-3-7-23-10-13)14-9-18(28-19(14)15)17-8-12-4-1-2-6-16(12)27-17/h1-2,4,6,8-9,11,13,23H,3,5,7,10H2,(H2,22,26)(H,24,25)/t13-/m0/s1
InChIKeyDREZEZQKUBBCST-ZDUSSCGKSA-N
MW392.48 g/mol
LogP3.97
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52947383) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52947383
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cc4ccccc4o3)sc12
InChIInChI=1S/C21H20N4O2S/c22-20(26)15-11-24-21(25-13-5-3-7-23-10-13)14-9-18(28-19(14)15)17-8-12-4-1-2-6-16(12)27-17/h1-2,4,6,8-9,11,13,23H,3,5,7,10H2,(H2,22,26)(H,24,25)/t13-/m0/s1
InChIKeyDREZEZQKUBBCST-ZDUSSCGKSA-N
XLogP3.97
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide with MolForge

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Related Compounds

7-(Furan-2-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 18450866
2-phenyl-4-[[(3S)-piperidin-3-yl]amino]furo[3,2-c]pyridine-7-carboxamide
CID 69013144
(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-(4-phenoxyphenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52948563
(S)-4-(piperidin-3-ylamino)-2-(4-(trifluoromethoxy)phenyl)thieno[3,2-c]pyridine-7-carboxamide
CID 52948596
(S)-2-(5-fluoro-2-methoxyphenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52948639
(S)-2-(6-methoxypyridin-3-yl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52949739
4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 56925457
(2S)-1-N-[2-(3-fluoro-4-pyridinyl)-7-(furan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596442
(2S)-1-N-[7-(5-methylfuran-2-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 117672733

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 52947383) is 2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cc4ccccc4o3)sc12.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is DREZEZQKUBBCST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H20N4O2S/c22-20(26)15-11-24-21(25-13-5-3-7-23-10-13)14-9-18(28-19(14)15)17-8-12-4-1-2-6-16(12)27-17/h1-2,4,6,8-9,11,13,23H,3,5,7,10H2,(H2,22,26)(H,24,25)/t13-/m0/s1.
What are the key properties of 2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52947383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).