1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole

C22H20N6 — CID 1435448

IUPAC1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole
SMILESc1ccc(Cn2nnnc2[C@H](c2ccccn2)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H20N6/c1-2-8-17(9-3-1)16-28-22(24-25-26-28)21(19-11-6-7-14-23-19)27-15-13-18-10-4-5-12-20(18)27/h1-12,14,21H,13,15-16H2/t21-/m0/s1
InChIKeyKJNSUOKPTJVGAH-NRFANRHFSA-N
MW368.44 g/mol
LogP3.27
Rot. Bonds5

About 1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole

1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole (PubChem CID 1435448) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole
PubChem CID1435448
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole
SMILESc1ccc(Cn2nnnc2[C@H](c2ccccn2)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H20N6/c1-2-8-17(9-3-1)16-28-22(24-25-26-28)21(19-11-6-7-14-23-19)27-15-13-18-10-4-5-12-20(18)27/h1-12,14,21H,13,15-16H2/t21-/m0/s1
InChIKeyKJNSUOKPTJVGAH-NRFANRHFSA-N
XLogP3.27
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole?
The IUPAC name of 1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole (CID 1435448) is 1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole is c1ccc(Cn2nnnc2[C@H](c2ccccn2)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole?
The InChIKey is KJNSUOKPTJVGAH-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N6/c1-2-8-17(9-3-1)16-28-22(24-25-26-28)21(19-11-6-7-14-23-19)27-15-13-18-10-4-5-12-20(18)27/h1-12,14,21H,13,15-16H2/t21-/m0/s1.
What are the key properties of 1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole?
1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole has a molecular weight of 368.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole is sourced from PubChem (CID 1435448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).