6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

C26H33FN8O2 — CID 59624311

IUPAC6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNCCCC(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(F)c4)n3n2)CC1
InChIInChI=1S/C26H33FN8O2/c27-23-13-19(9-11-29-23)33-26(37)22-15-30-25-21(31-17-7-8-17)14-24(34-35(22)25)32-18-5-3-16(4-6-18)12-20(36)2-1-10-28/h9,11,13-18,31H,1-8,10,12,28H2,(H,32,34)(H,29,33,37)
InChIKeyPQTOFRSENBLHCB-UHFFFAOYSA-N
MW508.60 g/mol
LogP3.76
Rot. Bonds11

About 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624311) has the molecular formula C26H33FN8O2 and a molecular weight of 508.60 g/mol. Its IUPAC name is 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624311
Molecular FormulaC26H33FN8O2
Molecular Weight508.60 g/mol
Exact Mass508.27
IUPAC Name6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNCCCC(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(F)c4)n3n2)CC1
InChIInChI=1S/C26H33FN8O2/c27-23-13-19(9-11-29-23)33-26(37)22-15-30-25-21(31-17-7-8-17)14-24(34-35(22)25)32-18-5-3-16(4-6-18)12-20(36)2-1-10-28/h9,11,13-18,31H,1-8,10,12,28H2,(H,32,34)(H,29,33,37)
InChIKeyPQTOFRSENBLHCB-UHFFFAOYSA-N
XLogP3.76
TPSA139.33 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328445
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-cyclohexyl-5-pyridin-2-yl-2H-pyrazol-3-yl)-amide
CID 53328447
6-cyclopropyl-N-[1-(2-methylpropyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328989
N-[1-(cyclopentylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329168
N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329169
6-[[1-(4-cyanophenyl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118139924
6-cyclopropyl-N-[1-(4-fluorophenyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328249
6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328250
6-cyclopropyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328251
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328252
6-cyclopropyl-N-[1-(2-phenylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328634
N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328635

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624311) is 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is NCCCC(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(F)c4)n3n2)CC1.
What is the InChIKey of 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is PQTOFRSENBLHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN8O2/c27-23-13-19(9-11-29-23)33-26(37)22-15-30-25-21(31-17-7-8-17)14-24(34-35(22)25)32-18-5-3-16(4-6-18)12-20(36)2-1-10-28/h9,11,13-18,31H,1-8,10,12,28H2,(H,32,34)(H,29,33,37).
What are the key properties of 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 508.60 g/mol, XLogP of 3.76, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).