6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C24H25FN8O2 — CID 59624716

IUPAC6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCC(Nc2cc(Nc3ccccc3)c3ncc(C(=O)Nc4cc(F)[nH]c(=O)c4)n3n2)CC1
InChIInChI=1S/C24H25FN8O2/c25-20-10-17(11-22(34)31-20)30-24(35)19-13-27-23-18(28-15-4-2-1-3-5-15)12-21(32-33(19)23)29-16-8-6-14(26)7-9-16/h1-5,10-14,16,28H,6-9,26H2,(H,29,32)(H2,30,31,34,35)
InChIKeyHSNWJOUGGMZITC-UHFFFAOYSA-N
MW476.52 g/mol
LogP3.23
Rot. Bonds6

About 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624716) has the molecular formula C24H25FN8O2 and a molecular weight of 476.52 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624716
Molecular FormulaC24H25FN8O2
Molecular Weight476.52 g/mol
Exact Mass476.21
IUPAC Name6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCC(Nc2cc(Nc3ccccc3)c3ncc(C(=O)Nc4cc(F)[nH]c(=O)c4)n3n2)CC1
InChIInChI=1S/C24H25FN8O2/c25-20-10-17(11-22(34)31-20)30-24(35)19-13-27-23-18(28-15-4-2-1-3-5-15)12-21(32-33(19)23)29-16-8-6-14(26)7-9-16/h1-5,10-14,16,28H,6-9,26H2,(H,29,32)(H2,30,31,34,35)
InChIKeyHSNWJOUGGMZITC-UHFFFAOYSA-N
XLogP3.23
TPSA142.23 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 53.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624716) is 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide is NC1CCC(Nc2cc(Nc3ccccc3)c3ncc(C(=O)Nc4cc(F)[nH]c(=O)c4)n3n2)CC1.
What is the InChIKey of 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is HSNWJOUGGMZITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O2/c25-20-10-17(11-22(34)31-20)30-24(35)19-13-27-23-18(28-15-4-2-1-3-5-15)12-21(32-33(19)23)29-16-8-6-14(26)7-9-16/h1-5,10-14,16,28H,6-9,26H2,(H,29,32)(H2,30,31,34,35).
What are the key properties of 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 3.23, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).