N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide

C25H26N6O3S — CID 118644522

IUPACN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide
SMILESCOc1ccc(-c2cc3nc(C(=O)Nc4cnccc4N4C[C@@H](N)[C@H](O)[C@@H](C)C4)ccc3s2)cn1
InChIInChI=1S/C25H26N6O3S/c1-14-12-31(13-16(26)24(14)32)20-7-8-27-11-19(20)30-25(33)17-4-5-21-18(29-17)9-22(35-21)15-3-6-23(34-2)28-10-15/h3-11,14,16,24,32H,12-13,26H2,1-2H3,(H,30,33)/t14-,16+,24+/m0/s1
InChIKeyXCLACEGABMIYMT-GMBGOVJBSA-N
MW490.59 g/mol
LogP3.16
Rot. Bonds5

About N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 118644522) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide
PubChem CID118644522
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide
SMILESCOc1ccc(-c2cc3nc(C(=O)Nc4cnccc4N4C[C@@H](N)[C@H](O)[C@@H](C)C4)ccc3s2)cn1
InChIInChI=1S/C25H26N6O3S/c1-14-12-31(13-16(26)24(14)32)20-7-8-27-11-19(20)30-25(33)17-4-5-21-18(29-17)9-22(35-21)15-3-6-23(34-2)28-10-15/h3-11,14,16,24,32H,12-13,26H2,1-2H3,(H,30,33)/t14-,16+,24+/m0/s1
InChIKeyXCLACEGABMIYMT-GMBGOVJBSA-N
XLogP3.16
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-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 N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide (CID 118644522) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide is COc1ccc(-c2cc3nc(C(=O)Nc4cnccc4N4C[C@@H](N)[C@H](O)[C@@H](C)C4)ccc3s2)cn1.
What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is XCLACEGABMIYMT-GMBGOVJBSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-14-12-31(13-16(26)24(14)32)20-7-8-27-11-19(20)30-25(33)17-4-5-21-18(29-17)9-22(35-21)15-3-6-23(34-2)28-10-15/h3-11,14,16,24,32H,12-13,26H2,1-2H3,(H,30,33)/t14-,16+,24+/m0/s1.
What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).