6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C23H26ClN5O2 — CID 123371359

IUPAC6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CCC(Nc2c(C(N)=O)cnn3cc(NC(=O)c4ccc(Cl)cc4)cc23)C1(C)C
InChIInChI=1S/C23H26ClN5O2/c1-13-4-9-19(23(13,2)3)28-20-17(21(25)30)11-26-29-12-16(10-18(20)29)27-22(31)14-5-7-15(24)8-6-14/h5-8,10-13,19,28H,4,9H2,1-3H3,(H2,25,30)(H,27,31)
InChIKeyIBZBWYNIMCXCDE-UHFFFAOYSA-N
MW439.95 g/mol
LogP4.58
Rot. Bonds5

About 6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123371359) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID123371359
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CCC(Nc2c(C(N)=O)cnn3cc(NC(=O)c4ccc(Cl)cc4)cc23)C1(C)C
InChIInChI=1S/C23H26ClN5O2/c1-13-4-9-19(23(13,2)3)28-20-17(21(25)30)11-26-29-12-16(10-18(20)29)27-22(31)14-5-7-15(24)8-6-14/h5-8,10-13,19,28H,4,9H2,1-3H3,(H2,25,30)(H,27,31)
InChIKeyIBZBWYNIMCXCDE-UHFFFAOYSA-N
XLogP4.58
TPSA101.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123593259
ethyl 3-carbamoyl-4-[[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 122500178
6-(3-methyl-4-pyridinyl)-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 122500170
6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468213
CID 123862117
CID 123862117
6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914486
6-bromo-4-[(4-fluoro-4-methylpyrrolidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77463709
6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914624
4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723921
4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723918
6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123502961
4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468190

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 123371359) is 6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1CCC(Nc2c(C(N)=O)cnn3cc(NC(=O)c4ccc(Cl)cc4)cc23)C1(C)C.
What is the InChIKey of 6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is IBZBWYNIMCXCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-13-4-9-19(23(13,2)3)28-20-17(21(25)30)11-26-29-12-16(10-18(20)29)27-22(31)14-5-7-15(24)8-6-14/h5-8,10-13,19,28H,4,9H2,1-3H3,(H2,25,30)(H,27,31).
What are the key properties of 6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 439.95 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123371359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).