[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone

C15H19N3O2 — CID 141275744

IUPAC[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone
SMILESCOC[C@@H]1CCCN1C(=O)c1ccc2cnn(C)c2c1
InChIInChI=1S/C15H19N3O2/c1-17-14-8-11(5-6-12(14)9-16-17)15(19)18-7-3-4-13(18)10-20-2/h5-6,8-9,13H,3-4,7,10H2,1-2H3/t13-/m0/s1
InChIKeyWMLBUIWOPHKZSS-ZDUSSCGKSA-N
MW273.34 g/mol
LogP1.82
Rot. Bonds3

About [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone

[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone (PubChem CID 141275744) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone
PubChem CID141275744
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone
SMILESCOC[C@@H]1CCCN1C(=O)c1ccc2cnn(C)c2c1
InChIInChI=1S/C15H19N3O2/c1-17-14-8-11(5-6-12(14)9-16-17)15(19)18-7-3-4-13(18)10-20-2/h5-6,8-9,13H,3-4,7,10H2,1-2H3/t13-/m0/s1
InChIKeyWMLBUIWOPHKZSS-ZDUSSCGKSA-N
XLogP1.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(4-pyrimidin-5-ylphenyl)methanone
CID 118775706
[2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone
CID 156607723
[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 77089273
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid
CID 141091395
[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136545306
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid;hydrochloride
CID 141091394
[4-(6-aminopyrimidin-4-yl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 119059801
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 56912025
[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 118794181
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
CID 121497442
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 72887191

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone?
The IUPAC name of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone (CID 141275744) is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone.
What is the SMILES notation for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone?
The canonical SMILES for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone is COC[C@@H]1CCCN1C(=O)c1ccc2cnn(C)c2c1.
What is the InChIKey of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone?
The InChIKey is WMLBUIWOPHKZSS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-14-8-11(5-6-12(14)9-16-17)15(19)18-7-3-4-13(18)10-20-2/h5-6,8-9,13H,3-4,7,10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone?
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone is sourced from PubChem (CID 141275744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).