N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide

C24H30N6O2 — CID 167596091

IUPACN-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCC(=O)CC1CCC(NC(=O)c2cnn3cc(-c4ccncc4)nc3c2NC(C)C)CC1
InChIInChI=1S/C24H30N6O2/c1-15(2)27-22-20(24(32)28-19-6-4-17(5-7-19)12-16(3)31)13-26-30-14-21(29-23(22)30)18-8-10-25-11-9-18/h8-11,13-15,17,19,27H,4-7,12H2,1-3H3,(H,28,32)
InChIKeyJBWMHHJBUOPKHG-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.88
Rot. Bonds7

About N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide

N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 167596091) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide
PubChem CID167596091
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCC(=O)CC1CCC(NC(=O)c2cnn3cc(-c4ccncc4)nc3c2NC(C)C)CC1
InChIInChI=1S/C24H30N6O2/c1-15(2)27-22-20(24(32)28-19-6-4-17(5-7-19)12-16(3)31)13-26-30-14-21(29-23(22)30)18-8-10-25-11-9-18/h8-11,13-15,17,19,27H,4-7,12H2,1-3H3,(H,28,32)
InChIKeyJBWMHHJBUOPKHG-UHFFFAOYSA-N
XLogP3.88
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[4-[[4-(propan-2-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carbonyl]amino]cyclohexyl]acetate
CID 167686509
N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 139508290
N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide
CID 155782052
N-(4-aminocyclohexyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119476936
N-cyclopentyl-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459835
N-piperidin-4-yl-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 172633218
6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 139508264
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[3-(2-oxopropyl)cyclobutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 162221154
N-cyclopentylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119999
N-(4-ethylcyclohexyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069028
2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 154746519
N-cyclohexyl-5-(cyclohexylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063129

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide (CID 167596091) is N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide is CC(=O)CC1CCC(NC(=O)c2cnn3cc(-c4ccncc4)nc3c2NC(C)C)CC1.
What is the InChIKey of N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is JBWMHHJBUOPKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-15(2)27-22-20(24(32)28-19-6-4-17(5-7-19)12-16(3)31)13-26-30-14-21(29-23(22)30)18-8-10-25-11-9-18/h8-11,13-15,17,19,27H,4-7,12H2,1-3H3,(H,28,32).
What are the key properties of N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide?
N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxopropyl)cyclohexyl]-8-(propan-2-ylamino)-2-pyridin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 167596091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).