6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C23H26FN5O2 — CID 77468108

IUPAC6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(-c2cc3c(NC4CCCC4(C)F)c(C(N)=O)cnn3c2)c1
InChIInChI=1S/C23H26FN5O2/c1-23(24)9-5-8-19(23)27-20-17(21(25)30)12-26-29-13-16(11-18(20)29)14-6-4-7-15(10-14)22(31)28(2)3/h4,6-7,10-13,19,27H,5,8-9H2,1-3H3,(H2,25,30)
InChIKeyAFFXEPAUGQACOG-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.49
Rot. Bonds5

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

6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77468108) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77468108
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(-c2cc3c(NC4CCCC4(C)F)c(C(N)=O)cnn3c2)c1
InChIInChI=1S/C23H26FN5O2/c1-23(24)9-5-8-19(23)27-20-17(21(25)30)12-26-29-13-16(11-18(20)29)14-6-4-7-15(10-14)22(31)28(2)3/h4,6-7,10-13,19,27H,5,8-9H2,1-3H3,(H2,25,30)
InChIKeyAFFXEPAUGQACOG-UHFFFAOYSA-N
XLogP3.49
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-difluorophenyl)-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468208
4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468139
4-[[(1R,2R)-2-fluoro-2-methylcyclopentyl]amino]-6-(4-methyl-2-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123491050
CID 123862117
CID 123862117
4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77467997
6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468213
ethyl N-[3-[(3-carbamoyl-6-phenylpyrrolo[1,2-b]pyridazin-4-yl)amino]-1,2,2-trimethylcyclopentyl]carbamate
CID 77137119
6-phenyl-4-[[(1R,3R)-2,2,3-trimethyl-3-(2-oxo-3-phenylpropyl)cyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 159344129
4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723921
4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723923
6-[4-(dimethylcarbamoyl)phenyl]-4-[(3-fluoro-3-methylbutan-2-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487477
6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937345

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77468108) is 6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is CN(C)C(=O)c1cccc(-c2cc3c(NC4CCCC4(C)F)c(C(N)=O)cnn3c2)c1.
What is the InChIKey of 6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is AFFXEPAUGQACOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-23(24)9-5-8-19(23)27-20-17(21(25)30)12-26-29-13-16(11-18(20)29)14-6-4-7-15(10-14)22(31)28(2)3/h4,6-7,10-13,19,27H,5,8-9H2,1-3H3,(H2,25,30).
What are the key properties of 6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77468108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).