1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one

C19H21N7O — CID 70901098

IUPAC1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one
SMILESNc1cnc2c(NC3CC3)cc(Nc3cccc(N4CCCC4=O)c3)nn12
InChIInChI=1S/C19H21N7O/c20-16-11-21-19-15(22-12-6-7-12)10-17(24-26(16)19)23-13-3-1-4-14(9-13)25-8-2-5-18(25)27/h1,3-4,9-12,22H,2,5-8,20H2,(H,23,24)
InChIKeyZHCDSUNZQYHYAF-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.76
Rot. Bonds5

About 1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one

1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one (PubChem CID 70901098) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one
PubChem CID70901098
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one
SMILESNc1cnc2c(NC3CC3)cc(Nc3cccc(N4CCCC4=O)c3)nn12
InChIInChI=1S/C19H21N7O/c20-16-11-21-19-15(22-12-6-7-12)10-17(24-26(16)19)23-13-3-1-4-14(9-13)25-8-2-5-18(25)27/h1,3-4,9-12,22H,2,5-8,20H2,(H,23,24)
InChIKeyZHCDSUNZQYHYAF-UHFFFAOYSA-N
XLogP2.76
TPSA100.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one (CID 70901098) is 1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one is Nc1cnc2c(NC3CC3)cc(Nc3cccc(N4CCCC4=O)c3)nn12.
What is the InChIKey of 1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one?
The InChIKey is ZHCDSUNZQYHYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c20-16-11-21-19-15(22-12-6-7-12)10-17(24-26(16)19)23-13-3-1-4-14(9-13)25-8-2-5-18(25)27/h1,3-4,9-12,22H,2,5-8,20H2,(H,23,24).
What are the key properties of 1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one?
1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one has a molecular weight of 363.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 70901098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).