3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole

C22H24N6O — CID 150179511

IUPAC3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESCOC1[C@@H](c2cccnc2)CCN1CCc1c[nH]c2ccc(-n3cnnc3)cc12
InChIInChI=1S/C22H24N6O/c1-29-22-19(16-3-2-8-23-12-16)7-10-27(22)9-6-17-13-24-21-5-4-18(11-20(17)21)28-14-25-26-15-28/h2-5,8,11-15,19,22,24H,6-7,9-10H2,1H3/t19-,22?/m1/s1
InChIKeyFLCRHVHIBAVTLK-LCQOSCCDSA-N
MW388.48 g/mol
LogP3.15
Rot. Bonds6

About 3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole

3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 150179511) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID150179511
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESCOC1[C@@H](c2cccnc2)CCN1CCc1c[nH]c2ccc(-n3cnnc3)cc12
InChIInChI=1S/C22H24N6O/c1-29-22-19(16-3-2-8-23-12-16)7-10-27(22)9-6-17-13-24-21-5-4-18(11-20(17)21)28-14-25-26-15-28/h2-5,8,11-15,19,22,24H,6-7,9-10H2,1H3/t19-,22?/m1/s1
InChIKeyFLCRHVHIBAVTLK-LCQOSCCDSA-N
XLogP3.15
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 150179511) is 3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole is COC1[C@@H](c2cccnc2)CCN1CCc1c[nH]c2ccc(-n3cnnc3)cc12.
What is the InChIKey of 3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is FLCRHVHIBAVTLK-LCQOSCCDSA-N. The full InChI is InChI=1S/C22H24N6O/c1-29-22-19(16-3-2-8-23-12-16)7-10-27(22)9-6-17-13-24-21-5-4-18(11-20(17)21)28-14-25-26-15-28/h2-5,8,11-15,19,22,24H,6-7,9-10H2,1H3/t19-,22?/m1/s1.
What are the key properties of 3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 388.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-2-methoxy-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 150179511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).