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

C17H19FN6OS — CID 77136975

IUPAC4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nnc(-c2cc3c(NC4CCCC4(C)F)c(C(N)=O)cnn3c2)s1
InChIInChI=1S/C17H19FN6OS/c1-9-22-23-16(26-9)10-6-12-14(21-13-4-3-5-17(13,2)18)11(15(19)25)7-20-24(12)8-10/h6-8,13,21H,3-5H2,1-2H3,(H2,19,25)
InChIKeyDDTKLWAYOKBTIE-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.95
Rot. Bonds4

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

4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77136975) has the molecular formula C17H19FN6OS and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77136975
Molecular FormulaC17H19FN6OS
Molecular Weight374.45 g/mol
Exact Mass374.13
IUPAC Name4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nnc(-c2cc3c(NC4CCCC4(C)F)c(C(N)=O)cnn3c2)s1
InChIInChI=1S/C17H19FN6OS/c1-9-22-23-16(26-9)10-6-12-14(21-13-4-3-5-17(13,2)18)11(15(19)25)7-20-24(12)8-10/h6-8,13,21H,3-5H2,1-2H3,(H2,19,25)
InChIKeyDDTKLWAYOKBTIE-UHFFFAOYSA-N
XLogP2.95
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.95
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-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77136975) is 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is Cc1nnc(-c2cc3c(NC4CCCC4(C)F)c(C(N)=O)cnn3c2)s1.
What is the InChIKey of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DDTKLWAYOKBTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6OS/c1-9-22-23-16(26-9)10-6-12-14(21-13-4-3-5-17(13,2)18)11(15(19)25)7-20-24(12)8-10/h6-8,13,21H,3-5H2,1-2H3,(H2,19,25).
What are the key properties of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.95, 4 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-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77136975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).