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

C19H17N7O — CID 143846848

IUPAC6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESNc1cc(NCc2ccccc2)c2ncc(C(=O)Nc3ccncc3)n2n1
InChIInChI=1S/C19H17N7O/c20-17-10-15(22-11-13-4-2-1-3-5-13)18-23-12-16(26(18)25-17)19(27)24-14-6-8-21-9-7-14/h1-10,12,22H,11H2,(H2,20,25)(H,21,24,27)
InChIKeyQEGAWMJYUXSQST-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.57
Rot. Bonds5

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

6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 143846848) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID143846848
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESNc1cc(NCc2ccccc2)c2ncc(C(=O)Nc3ccncc3)n2n1
InChIInChI=1S/C19H17N7O/c20-17-10-15(22-11-13-4-2-1-3-5-13)18-23-12-16(26(18)25-17)19(27)24-14-6-8-21-9-7-14/h1-10,12,22H,11H2,(H2,20,25)(H,21,24,27)
InChIKeyQEGAWMJYUXSQST-UHFFFAOYSA-N
XLogP2.57
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 143846758
6-amino-8-anilino-N-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide;cyclohexanamine
CID 143846846
6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624815
6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624447
4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide
CID 16665980
N-[4-(benzylamino)-3-chlorophenyl]-3-methyltriazole-4-carboxamide
CID 136540023
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 70233600
2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
CID 112983139
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide
CID 68820475
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 143846848) is 6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is Nc1cc(NCc2ccccc2)c2ncc(C(=O)Nc3ccncc3)n2n1.
What is the InChIKey of 6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QEGAWMJYUXSQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c20-17-10-15(22-11-13-4-2-1-3-5-13)18-23-12-16(26(18)25-17)19(27)24-14-6-8-21-9-7-14/h1-10,12,22H,11H2,(H2,20,25)(H,21,24,27).
What are the key properties of 6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 143846848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).