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

C22H26FN7O2 — CID 59624397

IUPAC8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccncc1F)c1cnc2c(NC3CCC3)cc(NC3CCC(O)CC3)nn12
InChIInChI=1S/C22H26FN7O2/c23-16-11-24-9-8-17(16)28-22(32)19-12-25-21-18(26-13-2-1-3-13)10-20(29-30(19)21)27-14-4-6-15(31)7-5-14/h8-15,26,31H,1-7H2,(H,27,29)(H,24,28,32)
InChIKeyCMMCDYGCFCZSCB-UHFFFAOYSA-N
MW439.50 g/mol
LogP3.20
Rot. Bonds6

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

8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624397) has the molecular formula C22H26FN7O2 and a molecular weight of 439.50 g/mol. Its IUPAC name is 8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624397
Molecular FormulaC22H26FN7O2
Molecular Weight439.50 g/mol
Exact Mass439.21
IUPAC Name8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccncc1F)c1cnc2c(NC3CCC3)cc(NC3CCC(O)CC3)nn12
InChIInChI=1S/C22H26FN7O2/c23-16-11-24-9-8-17(16)28-22(32)19-12-25-21-18(26-13-2-1-3-13)10-20(29-30(19)21)27-14-4-6-15(31)7-5-14/h8-15,26,31H,1-7H2,(H,27,29)(H,24,28,32)
InChIKeyCMMCDYGCFCZSCB-UHFFFAOYSA-N
XLogP3.20
TPSA116.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(methylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 70827879
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624654
6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624837
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-[[(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
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
6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624709
N-[4-[[8-(cyclopropylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-1,3-thiazolidine-3-carboxamide
CID 68782179
propyl 2-[4-[[8-(cyclopropylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]acetate
CID 59624594
(4-chlorophenyl) 2-[4-[[8-(cyclopropylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]acetate
CID 59624751

Frequently Asked Questions

What is the IUPAC name of 8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624397) is 8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1ccncc1F)c1cnc2c(NC3CCC3)cc(NC3CCC(O)CC3)nn12.
What is the InChIKey of 8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is CMMCDYGCFCZSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O2/c23-16-11-24-9-8-17(16)28-22(32)19-12-25-21-18(26-13-2-1-3-13)10-20(29-30(19)21)27-14-4-6-15(31)7-5-14/h8-15,26,31H,1-7H2,(H,27,29)(H,24,28,32).
What are the key properties of 8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).