8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine

C23H22N10O — CID 170626749

IUPAC8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine
SMILESCNc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(Nc3ccccn3)nnc12
InChIInChI=1S/C23H22N10O/c1-24-23-21-16(12-19(29-30-21)27-18-4-2-3-7-25-18)17(13-26-23)22-28-20-6-5-15(14-33(20)31-22)32-8-10-34-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,24,26)(H,25,27,29)
InChIKeyLSEWDIZIVVADFB-UHFFFAOYSA-N
MW454.50 g/mol
LogP2.75
Rot. Bonds5

About 8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine

8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine (PubChem CID 170626749) has the molecular formula C23H22N10O and a molecular weight of 454.50 g/mol. Its IUPAC name is 8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine.

Molecular Properties

Compound Name8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine
PubChem CID170626749
Molecular FormulaC23H22N10O
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine
SMILESCNc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(Nc3ccccn3)nnc12
InChIInChI=1S/C23H22N10O/c1-24-23-21-16(12-19(29-30-21)27-18-4-2-3-7-25-18)17(13-26-23)22-28-20-6-5-15(14-33(20)31-22)32-8-10-34-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,24,26)(H,25,27,29)
InChIKeyLSEWDIZIVVADFB-UHFFFAOYSA-N
XLogP2.75
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine with MolForge

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Related Compounds

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
2-[3-fluoro-2-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-4-pyridinyl]propan-2-ol
CID 170627476
2-[2-fluoro-6-[[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]amino]-3-pyridinyl]propan-2-ol
CID 170627543
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
6-N-(1,5-dimethylpyrazol-3-yl)-1-N-methyl-4-[6-[(2S)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridine-1,6-diamine
CID 170626486
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
N-[8-(methylamino)-5-[6-[(2R)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677742
N-[8-methoxy-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122220
N-[8-(1,1-dideuterioethylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 170677805
8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine
CID 177187036
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

Frequently Asked Questions

What is the IUPAC name of 8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine?
The IUPAC name of 8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine (CID 170626749) is 8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine.
What is the SMILES notation for 8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine?
The canonical SMILES for 8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine is CNc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(Nc3ccccn3)nnc12.
What is the InChIKey of 8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine?
The InChIKey is LSEWDIZIVVADFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N10O/c1-24-23-21-16(12-19(29-30-21)27-18-4-2-3-7-25-18)17(13-26-23)22-28-20-6-5-15(14-33(20)31-22)32-8-10-34-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,24,26)(H,25,27,29).
What are the key properties of 8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine?
8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine has a molecular weight of 454.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-methyl-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-N-pyridin-2-ylpyrido[3,4-c]pyridazine-3,8-diamine is sourced from PubChem (CID 170626749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).