1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone

C17H16N4O2 — CID 100620291

IUPAC1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C17H16N4O2/c22-17(15-10-12-4-1-2-5-14(12)19-15)21-9-7-13(11-21)23-16-6-3-8-18-20-16/h1-6,8,10,13,19H,7,9,11H2/t13-/m0/s1
InChIKeyFBVWXEAIMDOJME-ZDUSSCGKSA-N
MW308.34 g/mol
LogP2.25
Rot. Bonds3

About 1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone

1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone (PubChem CID 100620291) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
PubChem CID100620291
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C17H16N4O2/c22-17(15-10-12-4-1-2-5-14(12)19-15)21-9-7-13(11-21)23-16-6-3-8-18-20-16/h1-6,8,10,13,19H,7,9,11H2/t13-/m0/s1
InChIKeyFBVWXEAIMDOJME-ZDUSSCGKSA-N
XLogP2.25
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625464
6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 100622739
(3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638178
1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644461
3-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626740
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260670
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 90638405
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 91627208
(2-methylsulfanylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638321
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone (CID 100620291) is 1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CC[C@H](Oc2cccnn2)C1.
What is the InChIKey of 1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
The InChIKey is FBVWXEAIMDOJME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(15-10-12-4-1-2-5-14(12)19-15)21-9-7-13(11-21)23-16-6-3-8-18-20-16/h1-6,8,10,13,19H,7,9,11H2/t13-/m0/s1.
What are the key properties of 1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone has a molecular weight of 308.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 100620291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).