2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C31H26FN7O2S — CID 172532149

IUPAC2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1cccc(-c2cc3c(N(C(=O)c4ccc(-n5nnc6cccnc65)cc4F)[C@@H]4CCCNC4)nccc3s2)c1
InChIInChI=1S/C31H26FN7O2S/c1-41-22-7-2-5-19(15-22)28-17-24-27(42-28)11-14-35-29(24)38(21-6-3-12-33-18-21)31(40)23-10-9-20(16-25(23)32)39-30-26(36-37-39)8-4-13-34-30/h2,4-5,7-11,13-17,21,33H,3,6,12,18H2,1H3/t21-/m1/s1
InChIKeyZNPRNBXOCXDFOW-OAQYLSRUSA-N
MW579.66 g/mol
LogP5.64
Rot. Bonds6

About 2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 172532149) has the molecular formula C31H26FN7O2S and a molecular weight of 579.66 g/mol. Its IUPAC name is 2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID172532149
Molecular FormulaC31H26FN7O2S
Molecular Weight579.66 g/mol
Exact Mass579.19
IUPAC Name2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1cccc(-c2cc3c(N(C(=O)c4ccc(-n5nnc6cccnc65)cc4F)[C@@H]4CCCNC4)nccc3s2)c1
InChIInChI=1S/C31H26FN7O2S/c1-41-22-7-2-5-19(15-22)28-17-24-27(42-28)11-14-35-29(24)38(21-6-3-12-33-18-21)31(40)23-10-9-20(16-25(23)32)39-30-26(36-37-39)8-4-13-34-30/h2,4-5,7-11,13-17,21,33H,3,6,12,18H2,1H3/t21-/m1/s1
InChIKeyZNPRNBXOCXDFOW-OAQYLSRUSA-N
XLogP5.64
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.66
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide with MolForge

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Related Compounds

N-[2-(2-cyano-4-pyridinyl)thieno[3,2-c]pyridin-4-yl]-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532809
ethyl (E)-3-[4-[[2-fluoro-4-(triazolo[4,5-b]pyridin-3-yl)benzoyl]-[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridin-2-yl]prop-2-enoate
CID 172533505
N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532902
2-fluoro-N-[(3R)-piperidin-3-yl]-N-(6-pyridin-3-ylisoquinolin-1-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532892
2-fluoro-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-1-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532996
2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172533435
2-fluoro-N-[7-(3-hydroxypropyl)isoquinolin-1-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532113
ethyl (E)-3-[1-[[2-fluoro-4-(triazolo[4,5-b]pyridin-3-yl)benzoyl]-[(3R)-piperidin-3-yl]amino]isoquinolin-6-yl]prop-2-enoate
CID 172532661
2-fluoro-N-[8-[(E)-3-hydroxyprop-1-enyl]isoquinolin-1-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532691
2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide
CID 172532840
2-fluoro-4-(5-methoxytriazolo[4,5-b]pyridin-3-yl)-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532094
N-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-c]pyridin-4-yl]-2-fluoro-4-(1-methyltriazol-4-yl)-N-piperidin-3-ylbenzamide
CID 172532266

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of 2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 172532149) is 2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is COc1cccc(-c2cc3c(N(C(=O)c4ccc(-n5nnc6cccnc65)cc4F)[C@@H]4CCCNC4)nccc3s2)c1.
What is the InChIKey of 2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is ZNPRNBXOCXDFOW-OAQYLSRUSA-N. The full InChI is InChI=1S/C31H26FN7O2S/c1-41-22-7-2-5-19(15-22)28-17-24-27(42-28)11-14-35-29(24)38(21-6-3-12-33-18-21)31(40)23-10-9-20(16-25(23)32)39-30-26(36-37-39)8-4-13-34-30/h2,4-5,7-11,13-17,21,33H,3,6,12,18H2,1H3/t21-/m1/s1.
What are the key properties of 2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 579.66 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 172532149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).