4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide

C23H23FN6O2 — CID 77468063

IUPAC4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nnc(-c2ccc(-c3cc4c(NC5CCCC5(C)F)c(C(N)=O)cnn4c3)cc2)o1
InChIInChI=1S/C23H23FN6O2/c1-13-28-29-22(32-13)15-7-5-14(6-8-15)16-10-18-20(27-19-4-3-9-23(19,2)24)17(21(25)31)11-26-30(18)12-16/h5-8,10-12,19,27H,3-4,9H2,1-2H3,(H2,25,31)
InChIKeyOEJNORHOBMRITI-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.15
Rot. Bonds5

About 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77468063) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77468063
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nnc(-c2ccc(-c3cc4c(NC5CCCC5(C)F)c(C(N)=O)cnn4c3)cc2)o1
InChIInChI=1S/C23H23FN6O2/c1-13-28-29-22(32-13)15-7-5-14(6-8-15)16-10-18-20(27-19-4-3-9-23(19,2)24)17(21(25)31)11-26-30(18)12-16/h5-8,10-12,19,27H,3-4,9H2,1-2H3,(H2,25,31)
InChIKeyOEJNORHOBMRITI-UHFFFAOYSA-N
XLogP4.15
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77468063) is 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide is Cc1nnc(-c2ccc(-c3cc4c(NC5CCCC5(C)F)c(C(N)=O)cnn4c3)cc2)o1.
What is the InChIKey of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is OEJNORHOBMRITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-13-28-29-22(32-13)15-7-5-14(6-8-15)16-10-18-20(27-19-4-3-9-23(19,2)24)17(21(25)31)11-26-30(18)12-16/h5-8,10-12,19,27H,3-4,9H2,1-2H3,(H2,25,31).
What are the key properties of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77468063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).