3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole

C18H20N4 — CID 46226112

IUPAC3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole
SMILESC[C@@H]1CC[C@H](C)N1c1ccc(-c2c[nH]c3ccccc23)nn1
InChIInChI=1S/C18H20N4/c1-12-7-8-13(2)22(12)18-10-9-17(20-21-18)15-11-19-16-6-4-3-5-14(15)16/h3-6,9-13,19H,7-8H2,1-2H3/t12-,13+
InChIKeyPFZMCDNBEBHNGO-BETUJISGSA-N
MW292.39 g/mol
LogP4.00
Rot. Bonds2

About 3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole

3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole (PubChem CID 46226112) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole.

Molecular Properties

Compound Name3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole
PubChem CID46226112
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole
SMILESC[C@@H]1CC[C@H](C)N1c1ccc(-c2c[nH]c3ccccc23)nn1
InChIInChI=1S/C18H20N4/c1-12-7-8-13(2)22(12)18-10-9-17(20-21-18)15-11-19-16-6-4-3-5-14(15)16/h3-6,9-13,19H,7-8H2,1-2H3/t12-,13+
InChIKeyPFZMCDNBEBHNGO-BETUJISGSA-N
XLogP4.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole?
The IUPAC name of 3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole (CID 46226112) is 3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole.
What is the SMILES notation for 3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole?
The canonical SMILES for 3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole is C[C@@H]1CC[C@H](C)N1c1ccc(-c2c[nH]c3ccccc23)nn1.
What is the InChIKey of 3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole?
The InChIKey is PFZMCDNBEBHNGO-BETUJISGSA-N. The full InChI is InChI=1S/C18H20N4/c1-12-7-8-13(2)22(12)18-10-9-17(20-21-18)15-11-19-16-6-4-3-5-14(15)16/h3-6,9-13,19H,7-8H2,1-2H3/t12-,13+.
What are the key properties of 3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole?
3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole has a molecular weight of 292.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]-1H-indole is sourced from PubChem (CID 46226112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).