7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine

C16H14ClN3OS — CID 166603629

IUPAC7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine
SMILESClc1cnccc1OC1CCN(c2ccnc3ccsc23)C1
InChIInChI=1S/C16H14ClN3OS/c17-12-9-18-5-2-15(12)21-11-3-7-20(10-11)14-1-6-19-13-4-8-22-16(13)14/h1-2,4-6,8-9,11H,3,7,10H2
InChIKeyALIPBXFLEJDHCQ-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.00
Rot. Bonds3

About 7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine

7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine (PubChem CID 166603629) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine
PubChem CID166603629
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine
SMILESClc1cnccc1OC1CCN(c2ccnc3ccsc23)C1
InChIInChI=1S/C16H14ClN3OS/c17-12-9-18-5-2-15(12)21-11-3-7-20(10-11)14-1-6-19-13-4-8-22-16(13)14/h1-2,4-6,8-9,11H,3,7,10H2
InChIKeyALIPBXFLEJDHCQ-UHFFFAOYSA-N
XLogP4.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine
CID 166605850
3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine
CID 166605932
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345883
7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine
CID 133331902
4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 155976329
(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) 2-(4-phenoxyphenyl)acetate
CID 167602342
6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166603493
piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone
CID 166601294
7-piperidin-4-yloxythieno[3,2-b]pyridine;dihydrochloride
CID 155595774
2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-5-chloropyrimidine
CID 139028724
1-thieno[3,2-b]pyridin-7-ylpiperidine-3-carboxamide
CID 172899866
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 119100261

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine?
The IUPAC name of 7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine (CID 166603629) is 7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine is Clc1cnccc1OC1CCN(c2ccnc3ccsc23)C1.
What is the InChIKey of 7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine?
The InChIKey is ALIPBXFLEJDHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c17-12-9-18-5-2-15(12)21-11-3-7-20(10-11)14-1-6-19-13-4-8-22-16(13)14/h1-2,4-6,8-9,11H,3,7,10H2.
What are the key properties of 7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine?
7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine has a molecular weight of 331.83 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 166603629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).