1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole

C18H15F2N3 — CID 135187927

IUPAC1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole
SMILESC=C(C)c1cc(-c2cc3cc(F)c(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C18H15F2N3/c1-10(2)16-6-12(9-21-22-16)17-7-11-5-14(19)15(20)8-18(11)23(17)13-3-4-13/h5-9,13H,1,3-4H2,2H3
InChIKeyNKKHEQILHAIDLV-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.74
Rot. Bonds3

About 1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole

1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole (PubChem CID 135187927) has the molecular formula C18H15F2N3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole.

Molecular Properties

Compound Name1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole
PubChem CID135187927
Molecular FormulaC18H15F2N3
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole
SMILESC=C(C)c1cc(-c2cc3cc(F)c(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C18H15F2N3/c1-10(2)16-6-12(9-21-22-16)17-7-11-5-14(19)15(20)8-18(11)23(17)13-3-4-13/h5-9,13H,1,3-4H2,2H3
InChIKeyNKKHEQILHAIDLV-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole?
The IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole (CID 135187927) is 1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole.
What is the SMILES notation for 1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole?
The canonical SMILES for 1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole is C=C(C)c1cc(-c2cc3cc(F)c(F)cc3n2C2CC2)cnn1.
What is the InChIKey of 1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole?
The InChIKey is NKKHEQILHAIDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3/c1-10(2)16-6-12(9-21-22-16)17-7-11-5-14(19)15(20)8-18(11)23(17)13-3-4-13/h5-9,13H,1,3-4H2,2H3.
What are the key properties of 1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole?
1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole has a molecular weight of 311.34 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole is sourced from PubChem (CID 135187927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).