6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole

C26H26ClN7 — CID 141418349

IUPAC6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole
SMILESClc1cnc(N2CCCCC2)cc1-c1ccc2c(c1)N(Cc1ccc(-c3nn[nH]n3)cc1)CC2
InChIInChI=1S/C26H26ClN7/c27-23-16-28-25(33-11-2-1-3-12-33)15-22(23)21-9-8-19-10-13-34(24(19)14-21)17-18-4-6-20(7-5-18)26-29-31-32-30-26/h4-9,14-16H,1-3,10-13,17H2,(H,29,30,31,32)
InChIKeyNCUFRKPGLKAKMW-UHFFFAOYSA-N
MW472.00 g/mol
LogP5.14
Rot. Bonds5

About 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole

6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole (PubChem CID 141418349) has the molecular formula C26H26ClN7 and a molecular weight of 472.00 g/mol. Its IUPAC name is 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole
PubChem CID141418349
Molecular FormulaC26H26ClN7
Molecular Weight472.00 g/mol
Exact Mass471.19
IUPAC Name6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole
SMILESClc1cnc(N2CCCCC2)cc1-c1ccc2c(c1)N(Cc1ccc(-c3nn[nH]n3)cc1)CC2
InChIInChI=1S/C26H26ClN7/c27-23-16-28-25(33-11-2-1-3-12-33)15-22(23)21-9-8-19-10-13-34(24(19)14-21)17-18-4-6-20(7-5-18)26-29-31-32-30-26/h4-9,14-16H,1-3,10-13,17H2,(H,29,30,31,32)
InChIKeyNCUFRKPGLKAKMW-UHFFFAOYSA-N
XLogP5.14
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.00
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole with MolForge

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Related Compounds

6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole
CID 141418275
1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole
CID 121385737
5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole
CID 177336970
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
CID 3244608
1-(2,3-dichlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 67533424
2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride
CID 139618457
5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole
CID 58740446
2-[4-[2-chloro-4-(piperidin-1-ylmethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carbonitrile;2-[4-[2-chloro-4-(piperidin-1-ylmethyl)phenoxy]piperidin-1-yl]-5-(2H-tetrazol-5-yl)pyrimidine;methane
CID 158733294
4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzoic acid
CID 168861218
1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one
CID 155962221
1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide
CID 174659372

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole?
The IUPAC name of 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole (CID 141418349) is 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole.
What is the SMILES notation for 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole?
The canonical SMILES for 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole is Clc1cnc(N2CCCCC2)cc1-c1ccc2c(c1)N(Cc1ccc(-c3nn[nH]n3)cc1)CC2.
What is the InChIKey of 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole?
The InChIKey is NCUFRKPGLKAKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7/c27-23-16-28-25(33-11-2-1-3-12-33)15-22(23)21-9-8-19-10-13-34(24(19)14-21)17-18-4-6-20(7-5-18)26-29-31-32-30-26/h4-9,14-16H,1-3,10-13,17H2,(H,29,30,31,32).
What are the key properties of 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole?
6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole has a molecular weight of 472.00 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole is sourced from PubChem (CID 141418349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).