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

C21H19FN8O2 — CID 155510943

IUPACN-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C21H19FN8O2/c1-23-15-10-17(28-30-16(11-25-19(15)30)20(31)26-12-6-7-12)27-14-5-3-9-29(21(14)32)18-13(22)4-2-8-24-18/h2-5,8-12,23H,6-7H2,1H3,(H,26,31)(H,27,28)
InChIKeyCYCXOMOKBLOQRR-UHFFFAOYSA-N
MW434.44 g/mol
LogP2.09
Rot. Bonds6

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

N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155510943) has the molecular formula C21H19FN8O2 and a molecular weight of 434.44 g/mol. Its IUPAC name is N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID155510943
Molecular FormulaC21H19FN8O2
Molecular Weight434.44 g/mol
Exact Mass434.16
IUPAC NameN-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C21H19FN8O2/c1-23-15-10-17(28-30-16(11-25-19(15)30)20(31)26-12-6-7-12)27-14-5-3-9-29(21(14)32)18-13(22)4-2-8-24-18/h2-5,8-12,23H,6-7H2,1H3,(H,26,31)(H,27,28)
InChIKeyCYCXOMOKBLOQRR-UHFFFAOYSA-N
XLogP2.09
TPSA118.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 155510943) is N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nn2c(C(=O)NC3CC3)cnc12.
What is the InChIKey of N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is CYCXOMOKBLOQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN8O2/c1-23-15-10-17(28-30-16(11-25-19(15)30)20(31)26-12-6-7-12)27-14-5-3-9-29(21(14)32)18-13(22)4-2-8-24-18/h2-5,8-12,23H,6-7H2,1H3,(H,26,31)(H,27,28).
What are the key properties of N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155510943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).