4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide

C23H22FN5O — CID 77468139

IUPAC4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(F)CCCC1Nc1c(C(N)=O)cnn2cc(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/C23H22FN5O/c1-23(24)8-2-5-20(23)28-21-17(22(25)30)12-27-29-13-16(11-19(21)29)14-6-7-18-15(10-14)4-3-9-26-18/h3-4,6-7,9-13,20,28H,2,5,8H2,1H3,(H2,25,30)
InChIKeyQCEKWMPBNIUROC-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.34
Rot. Bonds4

About 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide

4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77468139) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77468139
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(F)CCCC1Nc1c(C(N)=O)cnn2cc(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/C23H22FN5O/c1-23(24)8-2-5-20(23)28-21-17(22(25)30)12-27-29-13-16(11-19(21)29)14-6-7-18-15(10-14)4-3-9-26-18/h3-4,6-7,9-13,20,28H,2,5,8H2,1H3,(H2,25,30)
InChIKeyQCEKWMPBNIUROC-UHFFFAOYSA-N
XLogP4.34
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.34
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-[[(1R,2R)-2-fluoro-2-methylcyclopentyl]amino]-6-(4-methyl-2-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123491050
6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468108
4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77467997
CID 123862117
CID 123862117
6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468213
4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723921
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-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723923
4-[(2,3-dimethylcyclopentyl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123839186
6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77463709

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77468139) is 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide is CC1(F)CCCC1Nc1c(C(N)=O)cnn2cc(-c3ccc4ncccc4c3)cc12.
What is the InChIKey of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QCEKWMPBNIUROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-23(24)8-2-5-20(23)28-21-17(22(25)30)12-27-29-13-16(11-19(21)29)14-6-7-18-15(10-14)4-3-9-26-18/h3-4,6-7,9-13,20,28H,2,5,8H2,1H3,(H2,25,30).
What are the key properties of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77468139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).