4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine

C17H13FN4 — CID 5272084

IUPAC4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine
SMILESCn1c2ccccc2c2nnc(N)c(-c3ccccc3F)c21
InChIInChI=1S/C17H13FN4/c1-22-13-9-5-3-7-11(13)15-16(22)14(17(19)21-20-15)10-6-2-4-8-12(10)18/h2-9H,1H3,(H2,19,21)
InChIKeyRDEZKGSYBRWCRR-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.51
Rot. Bonds1

About 4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine

4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine (PubChem CID 5272084) has the molecular formula C17H13FN4 and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine
PubChem CID5272084
Molecular FormulaC17H13FN4
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine
SMILESCn1c2ccccc2c2nnc(N)c(-c3ccccc3F)c21
InChIInChI=1S/C17H13FN4/c1-22-13-9-5-3-7-11(13)15-16(22)14(17(19)21-20-15)10-6-2-4-8-12(10)18/h2-9H,1H3,(H2,19,21)
InChIKeyRDEZKGSYBRWCRR-UHFFFAOYSA-N
XLogP3.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine?
The IUPAC name of 4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine (CID 5272084) is 4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine?
The canonical SMILES for 4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine is Cn1c2ccccc2c2nnc(N)c(-c3ccccc3F)c21.
What is the InChIKey of 4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine?
The InChIKey is RDEZKGSYBRWCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4/c1-22-13-9-5-3-7-11(13)15-16(22)14(17(19)21-20-15)10-6-2-4-8-12(10)18/h2-9H,1H3,(H2,19,21).
What are the key properties of 4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine?
4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine has a molecular weight of 292.32 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine is sourced from PubChem (CID 5272084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).