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

C26H27N5O2S — CID 161458613

IUPAC2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone
SMILESCOc1ccc(-c2cc3nc(C(=O)Cc4cnccc4N4C[C@H](C)C[C@H](N)C4)ccc3s2)cn1
InChIInChI=1S/C26H27N5O2S/c1-16-9-19(27)15-31(14-16)22-7-8-28-12-18(22)10-23(32)20-4-5-24-21(30-20)11-25(34-24)17-3-6-26(33-2)29-13-17/h3-8,11-13,16,19H,9-10,14-15,27H2,1-2H3/t16-,19+/m1/s1
InChIKeyWBMOOJBEHOFZFO-APWZRJJASA-N
MW473.60 g/mol
LogP4.36
Rot. Bonds6

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

2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone (PubChem CID 161458613) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone
PubChem CID161458613
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC Name2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone
SMILESCOc1ccc(-c2cc3nc(C(=O)Cc4cnccc4N4C[C@H](C)C[C@H](N)C4)ccc3s2)cn1
InChIInChI=1S/C26H27N5O2S/c1-16-9-19(27)15-31(14-16)22-7-8-28-12-18(22)10-23(32)20-4-5-24-21(30-20)11-25(34-24)17-3-6-26(33-2)29-13-17/h3-8,11-13,16,19H,9-10,14-15,27H2,1-2H3/t16-,19+/m1/s1
InChIKeyWBMOOJBEHOFZFO-APWZRJJASA-N
XLogP4.36
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

(4-Methoxyphenyl)(2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl)methanone
CID 46883205
US9822124, Example 45
CID 118644301
US9822124, Example 64
CID 118644365
US9822124, Example 57
CID 118644368
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide
CID 150405538
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[2-(6-methoxy-2-pyridinyl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 150643007
US10000507, Example 12
CID 117901755
US9822124, Example 55
CID 118644343
US9822124, Example 43
CID 118644522
N-[(6-methoxy-3-pyridinyl)methyl]-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538806
N-[(4-methoxyphenyl)methyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540248
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 151673550

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone?
The IUPAC name of 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone (CID 161458613) is 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone?
The canonical SMILES for 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone is COc1ccc(-c2cc3nc(C(=O)Cc4cnccc4N4C[C@H](C)C[C@H](N)C4)ccc3s2)cn1.
What is the InChIKey of 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone?
The InChIKey is WBMOOJBEHOFZFO-APWZRJJASA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-16-9-19(27)15-31(14-16)22-7-8-28-12-18(22)10-23(32)20-4-5-24-21(30-20)11-25(34-24)17-3-6-26(33-2)29-13-17/h3-8,11-13,16,19H,9-10,14-15,27H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone?
2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone has a molecular weight of 473.60 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(6-methoxy-3-pyridinyl)thieno[3,2-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 161458613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).