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

C20H29N5O2 — CID 123593259

IUPAC6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)C(=O)Nc1cc2c(NC3CCC(C)C3(C)C)c(C(N)=O)cnn2c1
InChIInChI=1S/C20H29N5O2/c1-11(2)19(27)23-13-8-15-17(14(18(21)26)9-22-25(15)10-13)24-16-7-6-12(3)20(16,4)5/h8-12,16,24H,6-7H2,1-5H3,(H2,21,26)(H,23,27)
InChIKeyGKCIPRWYHLFRGP-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.26
Rot. Bonds5

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

6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123593259) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID123593259
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)C(=O)Nc1cc2c(NC3CCC(C)C3(C)C)c(C(N)=O)cnn2c1
InChIInChI=1S/C20H29N5O2/c1-11(2)19(27)23-13-8-15-17(14(18(21)26)9-22-25(15)10-13)24-16-7-6-12(3)20(16,4)5/h8-12,16,24H,6-7H2,1-5H3,(H2,21,26)(H,23,27)
InChIKeyGKCIPRWYHLFRGP-UHFFFAOYSA-N
XLogP3.26
TPSA101.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[(4-chlorobenzoyl)amino]-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123371359
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-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487424
6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468213
benzyl N-[3-carbamoyl-4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazin-6-yl]carbamate
CID 66547255
CID 123862117
CID 123862117
4-[[(2R)-3-fluoro-3-methylbutan-2-yl]amino]-6-[(2,2,2-trifluoroacetyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 88948224
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-[(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-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 123593259) is 6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC(C)C(=O)Nc1cc2c(NC3CCC(C)C3(C)C)c(C(N)=O)cnn2c1.
What is the InChIKey of 6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GKCIPRWYHLFRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-11(2)19(27)23-13-8-15-17(14(18(21)26)9-22-25(15)10-13)24-16-7-6-12(3)20(16,4)5/h8-12,16,24H,6-7H2,1-5H3,(H2,21,26)(H,23,27).
What are the key properties of 6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropanoylamino)-4-[(2,2,3-trimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123593259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).