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

C20H25N9O — CID 59624561

IUPAC6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncn4)n3n2)CC1
InChIInChI=1S/C20H25N9O/c21-12-1-3-14(4-2-12)26-18-9-15(25-13-5-6-13)19-23-10-16(29(19)28-18)20(30)27-17-7-8-22-11-24-17/h7-14,25H,1-6,21H2,(H,26,28)(H,22,24,27,30)
InChIKeyHCTHXPAVIZEVFV-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.03
Rot. Bonds6

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

6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624561) has the molecular formula C20H25N9O and a molecular weight of 407.48 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624561
Molecular FormulaC20H25N9O
Molecular Weight407.48 g/mol
Exact Mass407.22
IUPAC Name6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncn4)n3n2)CC1
InChIInChI=1S/C20H25N9O/c21-12-1-3-14(4-2-12)26-18-9-15(25-13-5-6-13)19-23-10-16(29(19)28-18)20(30)27-17-7-8-22-11-24-17/h7-14,25H,1-6,21H2,(H,26,28)(H,22,24,27,30)
InChIKeyHCTHXPAVIZEVFV-UHFFFAOYSA-N
XLogP2.03
TPSA135.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 59624561) is 6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is NC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncn4)n3n2)CC1.
What is the InChIKey of 6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is HCTHXPAVIZEVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9O/c21-12-1-3-14(4-2-12)26-18-9-15(25-13-5-6-13)19-23-10-16(29(19)28-18)20(30)27-17-7-8-22-11-24-17/h7-14,25H,1-6,21H2,(H,26,28)(H,22,24,27,30).
What are the key properties of 6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).