[(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol

C14H19N3O2 — CID 128979786

IUPAC[(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C14H19N3O2/c1-19-13-5-12(9-18)17(8-13)7-10-2-3-11-6-15-16-14(11)4-10/h2-4,6,12-13,18H,5,7-9H2,1H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyKKDDJAIQSUYGBK-QWHCGFSZSA-N
MW261.32 g/mol
LogP1.14
Rot. Bonds4

About [(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol

[(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol (PubChem CID 128979786) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
PubChem CID128979786
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C14H19N3O2/c1-19-13-5-12(9-18)17(8-13)7-10-2-3-11-6-15-16-14(11)4-10/h2-4,6,12-13,18H,5,7-9H2,1H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyKKDDJAIQSUYGBK-QWHCGFSZSA-N
XLogP1.14
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol
CID 128979762
3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide
CID 128971410
[(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 154757023
2-[4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]phenyl]benzonitrile
CID 167966270
(4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 124568787
ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate
CID 124568084
(1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol
CID 99640635
[(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 128979855
[(2S,4R)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
CID 128979853
4-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-methoxyphenyl)-1H-pyrazole
CID 128978591
[(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 128970681
[(2S,4R)-1-[[1-(4-chlorophenyl)pyrazol-3-yl]methyl]-4-methoxypyrrolidin-2-yl]methanol
CID 128983482

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol (CID 128979786) is [(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol is CO[C@@H]1C[C@@H](CO)N(Cc2ccc3cn[nH]c3c2)C1.
What is the InChIKey of [(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol?
The InChIKey is KKDDJAIQSUYGBK-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-13-5-12(9-18)17(8-13)7-10-2-3-11-6-15-16-14(11)4-10/h2-4,6,12-13,18H,5,7-9H2,1H3,(H,15,16)/t12-,13+/m0/s1.
What are the key properties of [(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol?
[(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol has a molecular weight of 261.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 128979786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).