8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide

C22H26FN7O — CID 59624347

IUPAC8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1
InChIInChI=1S/C22H26FN7O/c1-13-2-4-15(5-3-13)27-20-10-18(26-14-6-7-14)21-25-12-19(30(21)29-20)22(31)28-17-8-9-24-11-16(17)23/h8-15,26H,2-7H2,1H3,(H,27,29)(H,24,28,31)
InChIKeyNFBASAIXZAZSRL-UHFFFAOYSA-N
MW423.50 g/mol
LogP4.08
Rot. Bonds6

About 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide

8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624347) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624347
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1
InChIInChI=1S/C22H26FN7O/c1-13-2-4-15(5-3-13)27-20-10-18(26-14-6-7-14)21-25-12-19(30(21)29-20)22(31)28-17-8-9-24-11-16(17)23/h8-15,26H,2-7H2,1H3,(H,27,29)(H,24,28,31)
InChIKeyNFBASAIXZAZSRL-UHFFFAOYSA-N
XLogP4.08
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 54.08
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 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624347) is 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide is CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1.
What is the InChIKey of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is NFBASAIXZAZSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-13-2-4-15(5-3-13)27-20-10-18(26-14-6-7-14)21-25-12-19(30(21)29-20)22(31)28-17-8-9-24-11-16(17)23/h8-15,26H,2-7H2,1H3,(H,27,29)(H,24,28,31).
What are the key properties of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).