6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

C17H20N6O2 — CID 91937346

IUPAC6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCn1nccc1-c1cc2c(NC3CCOCC3)c(C(N)=O)cnn2c1
InChIInChI=1S/C17H20N6O2/c1-22-14(2-5-19-22)11-8-15-16(21-12-3-6-25-7-4-12)13(17(18)24)9-20-23(15)10-11/h2,5,8-10,12,21H,3-4,6-7H2,1H3,(H2,18,24)
InChIKeyXFERTSZCVJQIAA-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.42
Rot. Bonds4

About 6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 91937346) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID91937346
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCn1nccc1-c1cc2c(NC3CCOCC3)c(C(N)=O)cnn2c1
InChIInChI=1S/C17H20N6O2/c1-22-14(2-5-19-22)11-8-15-16(21-12-3-6-25-7-4-12)13(17(18)24)9-20-23(15)10-11/h2,5,8-10,12,21H,3-4,6-7H2,1H3,(H2,18,24)
InChIKeyXFERTSZCVJQIAA-UHFFFAOYSA-N
XLogP1.42
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

Edecesertib
CID 147817927
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
Pyrazolopyridine, 46
CID 25138270
Pyrazolopyridine, 47
CID 25138271
Pyrazolopyridine, 48
CID 25138272
Jak-IN-3
CID 68291755
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958907
1-(4-benzoylpiperazin-1-yl)-2-(7-pyrazol-1-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958910
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 91937346) is 6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is Cn1nccc1-c1cc2c(NC3CCOCC3)c(C(N)=O)cnn2c1.
What is the InChIKey of 6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is XFERTSZCVJQIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-22-14(2-5-19-22)11-8-15-16(21-12-3-6-25-7-4-12)13(17(18)24)9-20-23(15)10-11/h2,5,8-10,12,21H,3-4,6-7H2,1H3,(H2,18,24).
What are the key properties of 6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrazol-3-yl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 91937346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).