N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide

C25H24FN5O2 — CID 57390883

IUPACN-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide
SMILESCCn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2C)cc2nnc(-c3c(C)cccc3F)n21
InChIInChI=1S/C25H24FN5O2/c1-4-30-25(33)19(18-12-16(9-8-14(18)2)24(32)27-17-10-11-17)13-21-28-29-23(31(21)30)22-15(3)6-5-7-20(22)26/h5-9,12-13,17H,4,10-11H2,1-3H3,(H,27,32)
InChIKeyRMEGGUOYWTWDTL-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.89
Rot. Bonds5

About N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide

N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide (PubChem CID 57390883) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide
PubChem CID57390883
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide
SMILESCCn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2C)cc2nnc(-c3c(C)cccc3F)n21
InChIInChI=1S/C25H24FN5O2/c1-4-30-25(33)19(18-12-16(9-8-14(18)2)24(32)27-17-10-11-17)13-21-28-29-23(31(21)30)22-15(3)6-5-7-20(22)26/h5-9,12-13,17H,4,10-11H2,1-3H3,(H,27,32)
InChIKeyRMEGGUOYWTWDTL-UHFFFAOYSA-N
XLogP3.89
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide (CID 57390883) is N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide is CCn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2C)cc2nnc(-c3c(C)cccc3F)n21.
What is the InChIKey of N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide?
The InChIKey is RMEGGUOYWTWDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-4-30-25(33)19(18-12-16(9-8-14(18)2)24(32)27-17-10-11-17)13-21-28-29-23(31(21)30)22-15(3)6-5-7-20(22)26/h5-9,12-13,17H,4,10-11H2,1-3H3,(H,27,32).
What are the key properties of N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide?
N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide has a molecular weight of 445.50 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-ethyl-3-(2-fluoro-6-methylphenyl)-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide is sourced from PubChem (CID 57390883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).