4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

C20H23ClN6S — CID 73296266

IUPAC4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESClc1ccc(-c2c3c(nc(N4CCCCC4)c2-c2nn[nH]n2)CCCCC3)s1
InChIInChI=1S/C20H23ClN6S/c21-16-10-9-15(28-16)17-13-7-3-1-4-8-14(13)22-20(27-11-5-2-6-12-27)18(17)19-23-25-26-24-19/h9-10H,1-8,11-12H2,(H,23,24,25,26)
InChIKeyMFNYIKFYHRLQFU-UHFFFAOYSA-N
MW414.97 g/mol
LogP4.90
Rot. Bonds3

About 4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 73296266) has the molecular formula C20H23ClN6S and a molecular weight of 414.97 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID73296266
Molecular FormulaC20H23ClN6S
Molecular Weight414.97 g/mol
Exact Mass414.14
IUPAC Name4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESClc1ccc(-c2c3c(nc(N4CCCCC4)c2-c2nn[nH]n2)CCCCC3)s1
InChIInChI=1S/C20H23ClN6S/c21-16-10-9-15(28-16)17-13-7-3-1-4-8-14(13)22-20(27-11-5-2-6-12-27)18(17)19-23-25-26-24-19/h9-10H,1-8,11-12H2,(H,23,24,25,26)
InChIKeyMFNYIKFYHRLQFU-UHFFFAOYSA-N
XLogP4.90
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.97
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine 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 4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 73296266) is 4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is Clc1ccc(-c2c3c(nc(N4CCCCC4)c2-c2nn[nH]n2)CCCCC3)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is MFNYIKFYHRLQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6S/c21-16-10-9-15(28-16)17-13-7-3-1-4-8-14(13)22-20(27-11-5-2-6-12-27)18(17)19-23-25-26-24-19/h9-10H,1-8,11-12H2,(H,23,24,25,26).
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 414.97 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 73296266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).