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

C25H26N6O2S — CID 118644343

IUPACN-[4-[(3S,5R)-3-amino-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](C)C[C@H](N)C4)ccc3s2)cn1
InChIInChI=1S/C25H26N6O2S/c1-15-9-17(26)14-31(13-15)21-7-8-27-12-20(21)30-25(32)18-4-5-22-19(29-18)10-23(34-22)16-3-6-24(33-2)28-11-16/h3-8,10-12,15,17H,9,13-14,26H2,1-2H3,(H,30,32)/t15-,17+/m1/s1
InChIKeyVWZVCZKXPHLKBS-WBVHZDCISA-N
MW474.59 g/mol
LogP4.19
Rot. Bonds5

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

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 118644343) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide
PubChem CID118644343
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC NameN-[4-[(3S,5R)-3-amino-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](C)C[C@H](N)C4)ccc3s2)cn1
InChIInChI=1S/C25H26N6O2S/c1-15-9-17(26)14-31(13-15)21-7-8-27-12-20(21)30-25(32)18-4-5-22-19(29-18)10-23(34-22)16-3-6-24(33-2)28-11-16/h3-8,10-12,15,17H,9,13-14,26H2,1-2H3,(H,30,32)/t15-,17+/m1/s1
InChIKeyVWZVCZKXPHLKBS-WBVHZDCISA-N
XLogP4.19
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide (CID 118644343) is N-[4-[(3S,5R)-3-amino-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-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-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](C)C[C@H](N)C4)ccc3s2)cn1.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is VWZVCZKXPHLKBS-WBVHZDCISA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-15-9-17(26)14-31(13-15)21-7-8-27-12-20(21)30-25(32)18-4-5-22-19(29-18)10-23(34-22)16-3-6-24(33-2)28-11-16/h3-8,10-12,15,17H,9,13-14,26H2,1-2H3,(H,30,32)/t15-,17+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide?
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).