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

C22H26FN7O — CID 59624654

IUPAC8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CCCCC1Nc1cc(NC2CC2)c2ncc(C(=O)Nc3ccncc3F)n2n1
InChIInChI=1S/C22H26FN7O/c1-13-4-2-3-5-16(13)27-20-10-18(26-14-6-7-14)21-25-12-19(30(21)29-20)22(31)28-17-8-9-24-11-15(17)23/h8-14,16,26H,2-7H2,1H3,(H,27,29)(H,24,28,31)
InChIKeyICRBPGQBSNGUFM-UHFFFAOYSA-N
MW423.50 g/mol
LogP4.08
Rot. Bonds6

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

8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624654) 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-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624654
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CCCCC1Nc1cc(NC2CC2)c2ncc(C(=O)Nc3ccncc3F)n2n1
InChIInChI=1S/C22H26FN7O/c1-13-4-2-3-5-16(13)27-20-10-18(26-14-6-7-14)21-25-12-19(30(21)29-20)22(31)28-17-8-9-24-11-15(17)23/h8-14,16,26H,2-7H2,1H3,(H,27,29)(H,24,28,31)
InChIKeyICRBPGQBSNGUFM-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'}

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

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Related Compounds

8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624401
8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624397
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(methylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 70827879
6-[[4-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 68780196
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(3-methyl-2-oxobutyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624326
6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624837
6-[[4-[(2-chlorobenzoyl)amino]cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 68784245
(4-chlorophenyl)-[4-[[8-(cyclopropylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]carbamic acid
CID 122658715
propyl 2-[4-[[8-(cyclopropylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]acetate
CID 59624594
6-[(4-aminocyclohexyl)amino]-8-[[6-(cyclohexylamino)-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 70827849
[4-[[8-(cyclopropylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-(4-methoxyphenyl)carbamic acid
CID 122658694
6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624709

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624654) is 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide is CC1CCCCC1Nc1cc(NC2CC2)c2ncc(C(=O)Nc3ccncc3F)n2n1.
What is the InChIKey of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ICRBPGQBSNGUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-13-4-2-3-5-16(13)27-20-10-18(26-14-6-7-14)21-25-12-19(30(21)29-20)22(31)28-17-8-9-24-11-15(17)23/h8-14,16,26H,2-7H2,1H3,(H,27,29)(H,24,28,31).
What are the key properties of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-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-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).