(2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide

C20H21N5O2S — CID 126825160

IUPAC(2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
SMILESCn1ccnc1[C@@H]1[C@@H](C(=O)Nc2nccc3sccc23)CCC(=O)N1C1CC1
InChIInChI=1S/C20H21N5O2S/c1-24-10-9-22-19(24)17-14(4-5-16(26)25(17)12-2-3-12)20(27)23-18-13-7-11-28-15(13)6-8-21-18/h6-12,14,17H,2-5H2,1H3,(H,21,23,27)/t14-,17-/m0/s1
InChIKeyODLFDUHKYLIAMZ-YOEHRIQHSA-N
MW395.49 g/mol
LogP3.11
Rot. Bonds4

About (2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide

(2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 126825160) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is (2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
PubChem CID126825160
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name(2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
SMILESCn1ccnc1[C@@H]1[C@@H](C(=O)Nc2nccc3sccc23)CCC(=O)N1C1CC1
InChIInChI=1S/C20H21N5O2S/c1-24-10-9-22-19(24)17-14(4-5-16(26)25(17)12-2-3-12)20(27)23-18-13-7-11-28-15(13)6-8-21-18/h6-12,14,17H,2-5H2,1H3,(H,21,23,27)/t14-,17-/m0/s1
InChIKeyODLFDUHKYLIAMZ-YOEHRIQHSA-N
XLogP3.11
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (CID 126825160) is (2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is Cn1ccnc1[C@@H]1[C@@H](C(=O)Nc2nccc3sccc23)CCC(=O)N1C1CC1.
What is the InChIKey of (2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is ODLFDUHKYLIAMZ-YOEHRIQHSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-24-10-9-22-19(24)17-14(4-5-16(26)25(17)12-2-3-12)20(27)23-18-13-7-11-28-15(13)6-8-21-18/h6-12,14,17H,2-5H2,1H3,(H,21,23,27)/t14-,17-/m0/s1.
What are the key properties of (2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
(2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 126825160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).