1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride

C18H22ClN3O — CID 52945146

IUPAC1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride
SMILESCl.c1ccc2c(c1)CCN2c1cncc(OC[C@@H]2CCCN2)c1
InChIInChI=1S/C18H21N3O.ClH/c1-2-6-18-14(4-1)7-9-21(18)16-10-17(12-19-11-16)22-13-15-5-3-8-20-15;/h1-2,4,6,10-12,15,20H,3,5,7-9,13H2;1H/t15-;/m0./s1
InChIKeyVMFZGYJSWOVBAK-RSAXXLAASA-N
MW331.85 g/mol
LogP3.33
Rot. Bonds4

About 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride

1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride (PubChem CID 52945146) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride.

Molecular Properties

Compound Name1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride
PubChem CID52945146
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride
SMILESCl.c1ccc2c(c1)CCN2c1cncc(OC[C@@H]2CCCN2)c1
InChIInChI=1S/C18H21N3O.ClH/c1-2-6-18-14(4-1)7-9-21(18)16-10-17(12-19-11-16)22-13-15-5-3-8-20-15;/h1-2,4,6,10-12,15,20H,3,5,7-9,13H2;1H/t15-;/m0./s1
InChIKeyVMFZGYJSWOVBAK-RSAXXLAASA-N
XLogP3.33
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride?
The IUPAC name of 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride (CID 52945146) is 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride.
What is the SMILES notation for 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride?
The canonical SMILES for 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride is Cl.c1ccc2c(c1)CCN2c1cncc(OC[C@@H]2CCCN2)c1.
What is the InChIKey of 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride?
The InChIKey is VMFZGYJSWOVBAK-RSAXXLAASA-N. The full InChI is InChI=1S/C18H21N3O.ClH/c1-2-6-18-14(4-1)7-9-21(18)16-10-17(12-19-11-16)22-13-15-5-3-8-20-15;/h1-2,4,6,10-12,15,20H,3,5,7-9,13H2;1H/t15-;/m0./s1.
What are the key properties of 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride?
1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride has a molecular weight of 331.85 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-2,3-dihydroindole;hydrochloride is sourced from PubChem (CID 52945146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).