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

C21H25N5O3S — CID 123502961

IUPAC6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CCCC1Nc1c(C(N)=O)cnn2cc(-c3ccc(NS(C)(=O)=O)cc3)cc12
InChIInChI=1S/C21H25N5O3S/c1-13-4-3-5-18(13)24-20-17(21(22)27)11-23-26-12-15(10-19(20)26)14-6-8-16(9-7-14)25-30(2,28)29/h6-13,18,24-25H,3-5H2,1-2H3,(H2,22,27)
InChIKeyKQIJEDDFADTMFJ-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.07
Rot. Bonds6

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

6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123502961) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID123502961
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CCCC1Nc1c(C(N)=O)cnn2cc(-c3ccc(NS(C)(=O)=O)cc3)cc12
InChIInChI=1S/C21H25N5O3S/c1-13-4-3-5-18(13)24-20-17(21(22)27)11-23-26-12-15(10-19(20)26)14-6-8-16(9-7-14)25-30(2,28)29/h6-13,18,24-25H,3-5H2,1-2H3,(H2,22,27)
InChIKeyKQIJEDDFADTMFJ-UHFFFAOYSA-N
XLogP3.07
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
4-{[(1r,3s)-3-Amino-2,2,3-Trimethylcyclopentyl]amino}-6-Phenylpyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 117769575
Jak-IN-3
CID 68291755
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91755097
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(3-methylphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769234
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(4-chlorophenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769241
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(6-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769244
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(4-cyanophenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769309
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(6-cyano-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769339
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(6-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769392
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(3-chlorophenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769396
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(2-methylphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769408

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 123502961) is 6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1CCCC1Nc1c(C(N)=O)cnn2cc(-c3ccc(NS(C)(=O)=O)cc3)cc12.
What is the InChIKey of 6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is KQIJEDDFADTMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-13-4-3-5-18(13)24-20-17(21(22)27)11-23-26-12-15(10-19(20)26)14-6-8-16(9-7-14)25-30(2,28)29/h6-13,18,24-25H,3-5H2,1-2H3,(H2,22,27).
What are the key properties of 6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123502961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).