3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole

C20H19N5O — CID 136763155

IUPAC3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole
SMILESCc1c(-c2nc([C@H]3CCOC3)nn2-c2ccncc2)[nH]c2ccccc12
InChIInChI=1S/C20H19N5O/c1-13-16-4-2-3-5-17(16)22-18(13)20-23-19(14-8-11-26-12-14)24-25(20)15-6-9-21-10-7-15/h2-7,9-10,14,22H,8,11-12H2,1H3/t14-/m0/s1
InChIKeyRYRGEVVZVOSNQP-AWEZNQCLSA-N
MW345.41 g/mol
LogP3.62
Rot. Bonds3

About 3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole

3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole (PubChem CID 136763155) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole.

Molecular Properties

Compound Name3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole
PubChem CID136763155
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole
SMILESCc1c(-c2nc([C@H]3CCOC3)nn2-c2ccncc2)[nH]c2ccccc12
InChIInChI=1S/C20H19N5O/c1-13-16-4-2-3-5-17(16)22-18(13)20-23-19(14-8-11-26-12-14)24-25(20)15-6-9-21-10-7-15/h2-7,9-10,14,22H,8,11-12H2,1H3/t14-/m0/s1
InChIKeyRYRGEVVZVOSNQP-AWEZNQCLSA-N
XLogP3.62
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole?
The IUPAC name of 3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole (CID 136763155) is 3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole.
What is the SMILES notation for 3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole?
The canonical SMILES for 3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole is Cc1c(-c2nc([C@H]3CCOC3)nn2-c2ccncc2)[nH]c2ccccc12.
What is the InChIKey of 3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole?
The InChIKey is RYRGEVVZVOSNQP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-16-4-2-3-5-17(16)22-18(13)20-23-19(14-8-11-26-12-14)24-25(20)15-6-9-21-10-7-15/h2-7,9-10,14,22H,8,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole?
3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole has a molecular weight of 345.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[5-[(3R)-oxolan-3-yl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indole is sourced from PubChem (CID 136763155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).