N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C59H48N16O5 — CID 122478392

IUPACN-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1cnc2ccc(-c3cccnc3-c3cccc(C)n3)cn12.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NC4COC4)n3n2)n1.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3n2)n1
InChIInChI=1S/C21H18N6O2.C20H17N5O.C18H13N5O2/c1-13-4-2-6-17(24-13)20-15(5-3-9-22-20)16-7-8-19-23-10-18(27(19)26-16)21(28)25-14-11-29-12-14;1-13-5-3-7-16(24-13)19-15(6-4-10-22-19)14-8-9-18-23-11-17(20(26)21-2)25(18)12-14;1-11-4-2-6-14(21-11)17-12(5-3-9-19-17)13-7-8-16-20-10-15(18(24)25)23(16)22-13/h2-10,14H,11-12H2,1H3,(H,25,28);3-12H,1-2H3,(H,21,26);2-10H,1H3,(H,24,25)
InChIKeyJOSOOKQZRWVXFX-UHFFFAOYSA-N
MW1061.14 g/mol
LogP8.28
Rot. Bonds10

About N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide

N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122478392) has the molecular formula C59H48N16O5 and a molecular weight of 1061.14 g/mol. Its IUPAC name is N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122478392
Molecular FormulaC59H48N16O5
Molecular Weight1061.14 g/mol
Exact Mass1060.40
IUPAC NameN-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1cnc2ccc(-c3cccnc3-c3cccc(C)n3)cn12.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NC4COC4)n3n2)n1.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3n2)n1
InChIInChI=1S/C21H18N6O2.C20H17N5O.C18H13N5O2/c1-13-4-2-6-17(24-13)20-15(5-3-9-22-20)16-7-8-19-23-10-18(27(19)26-16)21(28)25-14-11-29-12-14;1-13-5-3-7-16(24-13)19-15(6-4-10-22-19)14-8-9-18-23-11-17(20(26)21-2)25(18)12-14;1-11-4-2-6-14(21-11)17-12(5-3-9-19-17)13-7-8-16-20-10-15(18(24)25)23(16)22-13/h2-10,14H,11-12H2,1H3,(H,25,28);3-12H,1-2H3,(H,21,26);2-10H,1H3,(H,24,25)
InChIKeyJOSOOKQZRWVXFX-UHFFFAOYSA-N
XLogP8.28
TPSA259.75 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001061.14
LogP ≤ 58.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 122478392) is N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide is CNC(=O)c1cnc2ccc(-c3cccnc3-c3cccc(C)n3)cn12.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NC4COC4)n3n2)n1.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3n2)n1.
What is the InChIKey of N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is JOSOOKQZRWVXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2.C20H17N5O.C18H13N5O2/c1-13-4-2-6-17(24-13)20-15(5-3-9-22-20)16-7-8-19-23-10-18(27(19)26-16)21(28)25-14-11-29-12-14;1-13-5-3-7-16(24-13)19-15(6-4-10-22-19)14-8-9-18-23-11-17(20(26)21-2)25(18)12-14;1-11-4-2-6-14(21-11)17-12(5-3-9-19-17)13-7-8-16-20-10-15(18(24)25)23(16)22-13/h2-10,14H,11-12H2,1H3,(H,25,28);3-12H,1-2H3,(H,21,26);2-10H,1H3,(H,24,25).
What are the key properties of N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 1061.14 g/mol, XLogP of 8.28, 10 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122478392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).