4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide

C23H28FN7O — CID 77467997

IUPAC4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(F)CCCC1Nc1c(C(N)=O)cnn2cc(-c3ccnc(N4CCNCC4)c3)cc12
InChIInChI=1S/C23H28FN7O/c1-23(24)5-2-3-19(23)29-21-17(22(25)32)13-28-31-14-16(11-18(21)31)15-4-6-27-20(12-15)30-9-7-26-8-10-30/h4,6,11-14,19,26,29H,2-3,5,7-10H2,1H3,(H2,25,32)
InChIKeyLINFTQLQDADQDJ-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.60
Rot. Bonds5

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

4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77467997) has the molecular formula C23H28FN7O and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77467997
Molecular FormulaC23H28FN7O
Molecular Weight437.52 g/mol
Exact Mass437.23
IUPAC Name4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(F)CCCC1Nc1c(C(N)=O)cnn2cc(-c3ccnc(N4CCNCC4)c3)cc12
InChIInChI=1S/C23H28FN7O/c1-23(24)5-2-3-19(23)29-21-17(22(25)32)13-28-31-14-16(11-18(21)31)15-4-6-27-20(12-15)30-9-7-26-8-10-30/h4,6,11-14,19,26,29H,2-3,5,7-10H2,1H3,(H2,25,32)
InChIKeyLINFTQLQDADQDJ-UHFFFAOYSA-N
XLogP2.60
TPSA100.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

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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
4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468139
6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468108
CID 123862117
CID 123862117
6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468213
6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77463709
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
6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 122500170
4-[(2,3-dimethylcyclopentyl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123839186

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77467997) is 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1(F)CCCC1Nc1c(C(N)=O)cnn2cc(-c3ccnc(N4CCNCC4)c3)cc12.
What is the InChIKey of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is LINFTQLQDADQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O/c1-23(24)5-2-3-19(23)29-21-17(22(25)32)13-28-31-14-16(11-18(21)31)15-4-6-27-20(12-15)30-9-7-26-8-10-30/h4,6,11-14,19,26,29H,2-3,5,7-10H2,1H3,(H2,25,32).
What are the key properties of 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-2-methylcyclopentyl)amino]-6-(2-piperazin-1-yl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77467997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).