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

C20H19FN8O2 — CID 178121710

IUPACcis-(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
SMILES[2H]C([2H])([2H])Nc1ncc(-c2nc3cc(F)c(OC)cn3n2)c2cc(NC(=O)[C@H]3C[C@H]3C)nnc12
InChIInChI=1S/C20H19FN8O2/c1-9-4-10(9)20(30)24-15-5-11-12(7-23-19(22-2)17(11)27-26-15)18-25-16-6-13(21)14(31-3)8-29(16)28-18/h5-10H,4H2,1-3H3,(H,22,23)(H,24,26,30)/t9-,10+/m1/s1/i2D3
InChIKeyBEYHBLNRNJWAJP-BJDVPJRASA-N
MW425.44 g/mol
LogP2.52
Rot. Bonds6

About 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

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 (PubChem CID 178121710) has the molecular formula C20H19FN8O2 and a molecular weight of 425.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecis-(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
PubChem CID178121710
Molecular FormulaC20H19FN8O2
Molecular Weight425.44 g/mol
Exact Mass425.18
IUPAC Namecis-(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
SMILES[2H]C([2H])([2H])Nc1ncc(-c2nc3cc(F)c(OC)cn3n2)c2cc(NC(=O)[C@H]3C[C@H]3C)nnc12
InChIInChI=1S/C20H19FN8O2/c1-9-4-10(9)20(30)24-15-5-11-12(7-23-19(22-2)17(11)27-26-15)18-25-16-6-13(21)14(31-3)8-29(16)28-18/h5-10H,4H2,1-3H3,(H,22,23)(H,24,26,30)/t9-,10+/m1/s1/i2D3
InChIKeyBEYHBLNRNJWAJP-BJDVPJRASA-N
XLogP2.52
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
cis-(1S,2R)-N-[5-bromo-8-(trideuteriomethylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178122519
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-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 170627102
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-(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
tert-butyl 6-[2-[6-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]-1-(trideuteriomethylamino)-2,7-naphthyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3-dihydro-1,4-oxazine-4-carboxylate
CID 178122737
cis-(1S,2R)-N-[5-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]ethynyl]-8-(trideuteriomethylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178122878
cis-(1S,2R)-N-[5-[2-[1-(1,3-difluoropropan-2-yl)pyrazol-4-yl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178122272
cis-(1S,2R)-N-[5-[2-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178122061

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])Nc1ncc(-c2nc3cc(F)c(OC)cn3n2)c2cc(NC(=O)[C@H]3C[C@H]3C)nnc12.
What is the InChIKey of 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?
The InChIKey is BEYHBLNRNJWAJP-BJDVPJRASA-N. The full InChI is InChI=1S/C20H19FN8O2/c1-9-4-10(9)20(30)24-15-5-11-12(7-23-19(22-2)17(11)27-26-15)18-25-16-6-13(21)14(31-3)8-29(16)28-18/h5-10H,4H2,1-3H3,(H,22,23)(H,24,26,30)/t9-,10+/m1/s1/i2D3.
What are the key properties of 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?
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 has a molecular weight of 425.44 g/mol, XLogP of 2.52, 6 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-(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 is sourced from PubChem (CID 178121710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).