6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

C24H33N9O — CID 59624447

IUPAC6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCC(Nc2cc(NC3CCC(N)CC3)c3ncc(C(=O)Nc4ccncc4)n3n2)CC1
InChIInChI=1S/C24H33N9O/c25-15-1-5-17(6-2-15)29-20-13-22(30-18-7-3-16(26)4-8-18)32-33-21(14-28-23(20)33)24(34)31-19-9-11-27-12-10-19/h9-18,29H,1-8,25-26H2,(H,30,32)(H,27,31,34)
InChIKeyLYDFLPUUFHEUQZ-UHFFFAOYSA-N
MW463.59 g/mol
LogP2.74
Rot. Bonds6

About 6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624447) has the molecular formula C24H33N9O and a molecular weight of 463.59 g/mol. Its IUPAC name is 6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624447
Molecular FormulaC24H33N9O
Molecular Weight463.59 g/mol
Exact Mass463.28
IUPAC Name6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCC(Nc2cc(NC3CCC(N)CC3)c3ncc(C(=O)Nc4ccncc4)n3n2)CC1
InChIInChI=1S/C24H33N9O/c25-15-1-5-17(6-2-15)29-20-13-22(30-18-7-3-16(26)4-8-18)32-33-21(14-28-23(20)33)24(34)31-19-9-11-27-12-10-19/h9-18,29H,1-8,25-26H2,(H,30,32)(H,27,31,34)
InChIKeyLYDFLPUUFHEUQZ-UHFFFAOYSA-N
XLogP2.74
TPSA148.28 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 52.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624903
6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624815
6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624561
6-[(4-aminocyclohexyl)amino]-8-[4-(4-methylpiperazin-1-yl)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624467
6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624837
6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624739
8-(cyclopropylamino)-N-(2-iodo-4-pyridinyl)-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 89007263
N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624758
N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(prop-1-ynylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 143846673
6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 143846794
6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624474
6-[[4-[(3R)-3-amino-4-hydroxy-2-oxobutyl]cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624609

Frequently Asked Questions

What is the IUPAC name of 6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 59624447) is 6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is NC1CCC(Nc2cc(NC3CCC(N)CC3)c3ncc(C(=O)Nc4ccncc4)n3n2)CC1.
What is the InChIKey of 6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is LYDFLPUUFHEUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N9O/c25-15-1-5-17(6-2-15)29-20-13-22(30-18-7-3-16(26)4-8-18)32-33-21(14-28-23(20)33)24(34)31-19-9-11-27-12-10-19/h9-18,29H,1-8,25-26H2,(H,30,32)(H,27,31,34).
What are the key properties of 6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 2.74, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).