4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C16H22N4O2 — CID 118723918

IUPAC4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(C)[C@H](Nc2c(C(N)=O)cnn3cccc23)CC[C@]1(C)O
InChIInChI=1S/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16+/m1/s1
InChIKeyPOBDSPXBIIAMTG-WBMJQRKESA-N
MW302.38 g/mol
LogP1.78
Rot. Bonds3

About 4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 118723918) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID118723918
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(C)[C@H](Nc2c(C(N)=O)cnn3cccc23)CC[C@]1(C)O
InChIInChI=1S/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16+/m1/s1
InChIKeyPOBDSPXBIIAMTG-WBMJQRKESA-N
XLogP1.78
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723921
4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723923
benzyl N-[3-carbamoyl-4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazin-6-yl]carbamate
CID 66547255
4-[(2-fluorocyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123397603
4-[(2,3-dimethylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123211961
4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914175
4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 67965567
4-[(3-amino-2,2,3-trimethylcyclopentyl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468190
6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468213
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-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50913290

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 118723918) is 4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1(C)[C@H](Nc2c(C(N)=O)cnn3cccc23)CC[C@]1(C)O.
What is the InChIKey of 4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is POBDSPXBIIAMTG-WBMJQRKESA-N. The full InChI is InChI=1S/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16+/m1/s1.
What are the key properties of 4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3S)-3-hydroxy-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 118723918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).