cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide

C20H20N8O2 — CID 178122833

IUPACcis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCNc1ncc(-c2nc3ccc(OC)cn3n2)c2cc(NC(=O)[C@H]3C[C@H]3C)nnc12
InChIInChI=1S/C20H20N8O2/c1-10-6-12(10)20(29)23-15-7-13-14(8-22-19(21-2)17(13)26-25-15)18-24-16-5-4-11(30-3)9-28(16)27-18/h4-5,7-10,12H,6H2,1-3H3,(H,21,22)(H,23,25,29)/t10-,12+/m1/s1
InChIKeyMOONHHPFKPVRTR-PWSUYJOCSA-N
MW404.43 g/mol
LogP2.38
Rot. Bonds5

About cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 178122833) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID178122833
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Namecis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCNc1ncc(-c2nc3ccc(OC)cn3n2)c2cc(NC(=O)[C@H]3C[C@H]3C)nnc12
InChIInChI=1S/C20H20N8O2/c1-10-6-12(10)20(29)23-15-7-13-14(8-22-19(21-2)17(13)26-25-15)18-24-16-5-4-11(30-3)9-28(16)27-18/h4-5,7-10,12H,6H2,1-3H3,(H,21,22)(H,23,25,29)/t10-,12+/m1/s1
InChIKeyMOONHHPFKPVRTR-PWSUYJOCSA-N
XLogP2.38
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-N-[5-(7-fluoro-6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178121710
N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627223
cis-(1S,2R)-2-methyl-N-[8-(trideuteriomethylamino)-5-[6-[(2R)-2-(trideuteriomethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 178121720
N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178121967
cis-(1R,2S)-2-methyl-N-[8-(methylamino)-5-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 170627274
N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626878
trans-(1R,2S)-2-ethyl-N-[5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 178121785
cis-(1S,2R)-N-[5-[5-deuterio-8-fluoro-6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178121707
cis-(1R,2S)-N-[5-(5-deuterio-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(2,2,2-trideuterioethylamino)pyrido[3,4-c]pyridazin-3-yl]-2-(trideuteriomethyl)cyclopropane-1-carboxamide
CID 178122945
cis-(1S,2R)-N-[5-(5-deuterio-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(2,2,2-trideuterioethylamino)pyrido[3,4-c]pyridazin-3-yl]-2-(trideuteriomethyl)cyclopropane-1-carboxamide
CID 178122133
cis-(1S,2R)-2-methyl-N-[8-(methylamino)-5-[6-(3-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonan-8-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 174183201
cis-(1S,2R)-N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178122139

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 178122833) is cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide is CNc1ncc(-c2nc3ccc(OC)cn3n2)c2cc(NC(=O)[C@H]3C[C@H]3C)nnc12.
What is the InChIKey of cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is MOONHHPFKPVRTR-PWSUYJOCSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-10-6-12(10)20(29)23-15-7-13-14(8-22-19(21-2)17(13)26-25-15)18-24-16-5-4-11(30-3)9-28(16)27-18/h4-5,7-10,12H,6H2,1-3H3,(H,21,22)(H,23,25,29)/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 178122833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).