N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide

C21H20N8O2 — CID 155562327

IUPACN-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccncc3)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C21H20N8O2/c1-22-16-11-18(27-29-17(12-24-19(16)29)20(30)25-13-4-5-13)26-15-3-2-10-28(21(15)31)14-6-8-23-9-7-14/h2-3,6-13,22H,4-5H2,1H3,(H,25,30)(H,26,27)
InChIKeyYZFXVGADGLZCIJ-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.95
Rot. Bonds6

About N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide

N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155562327) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID155562327
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC NameN-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccncc3)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C21H20N8O2/c1-22-16-11-18(27-29-17(12-24-19(16)29)20(30)25-13-4-5-13)26-15-3-2-10-28(21(15)31)14-6-8-23-9-7-14/h2-3,6-13,22H,4-5H2,1H3,(H,25,30)(H,26,27)
InChIKeyYZFXVGADGLZCIJ-UHFFFAOYSA-N
XLogP1.95
TPSA118.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 155562327) is N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccncc3)c2=O)nn2c(C(=O)NC3CC3)cnc12.
What is the InChIKey of N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is YZFXVGADGLZCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-22-16-11-18(27-29-17(12-24-19(16)29)20(30)25-13-4-5-13)26-15-3-2-10-28(21(15)31)14-6-8-23-9-7-14/h2-3,6-13,22H,4-5H2,1H3,(H,25,30)(H,26,27).
What are the key properties of N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-4-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155562327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).