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

C15H20N4O2 — CID 118723923

IUPAC4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@]1(CO)CCC[C@H]1Nc1c(C(N)=O)cnn2cccc12
InChIInChI=1S/C15H20N4O2/c1-15(9-20)6-2-5-12(15)18-13-10(14(16)21)8-17-19-7-3-4-11(13)19/h3-4,7-8,12,18,20H,2,5-6,9H2,1H3,(H2,16,21)/t12-,15-/m1/s1
InChIKeyGATQRZORHMQKNV-IUODEOHRSA-N
MW288.35 g/mol
LogP1.40
Rot. Bonds4

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

4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 118723923) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID118723923
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@]1(CO)CCC[C@H]1Nc1c(C(N)=O)cnn2cccc12
InChIInChI=1S/C15H20N4O2/c1-15(9-20)6-2-5-12(15)18-13-10(14(16)21)8-17-19-7-3-4-11(13)19/h3-4,7-8,12,18,20H,2,5-6,9H2,1H3,(H2,16,21)/t12-,15-/m1/s1
InChIKeyGATQRZORHMQKNV-IUODEOHRSA-N
XLogP1.40
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
CID 123862117
CID 123862117
6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468213
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-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50913290
4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 67965567
6-[3-(dimethylcarbamoyl)phenyl]-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468108

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 118723923) is 4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is C[C@]1(CO)CCC[C@H]1Nc1c(C(N)=O)cnn2cccc12.
What is the InChIKey of 4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GATQRZORHMQKNV-IUODEOHRSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(9-20)6-2-5-12(15)18-13-10(14(16)21)8-17-19-7-3-4-11(13)19/h3-4,7-8,12,18,20H,2,5-6,9H2,1H3,(H2,16,21)/t12-,15-/m1/s1.
What are the key properties of 4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 118723923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).