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

C24H27N9O2 — CID 178122945

IUPACcis-(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
SMILES[2H]c1c(N2CCOCC2)ccc2nc(-c3cnc(NCC([2H])([2H])[2H])c4nnc(NC(=O)[C@@H]5C[C@@H]5C([2H])([2H])[2H])cc34)nn12
InChIInChI=1S/C24H27N9O2/c1-3-25-23-21-17(11-19(29-30-21)27-24(34)16-10-14(16)2)18(12-26-23)22-28-20-5-4-15(13-33(20)31-22)32-6-8-35-9-7-32/h4-5,11-14,16H,3,6-10H2,1-2H3,(H,25,26)(H,27,29,34)/t14-,16+/m0/s1/i1D3,2D3,13D
InChIKeyBWOCXFZPKVPNJV-QRHAKNJKSA-N
MW480.58 g/mol
LogP2.60
Rot. Bonds8

About 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

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 (PubChem CID 178122945) has the molecular formula C24H27N9O2 and a molecular weight of 480.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecis-(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
PubChem CID178122945
Molecular FormulaC24H27N9O2
Molecular Weight480.58 g/mol
Exact Mass480.27
IUPAC Namecis-(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
SMILES[2H]c1c(N2CCOCC2)ccc2nc(-c3cnc(NCC([2H])([2H])[2H])c4nnc(NC(=O)[C@@H]5C[C@@H]5C([2H])([2H])[2H])cc34)nn12
InChIInChI=1S/C24H27N9O2/c1-3-25-23-21-17(11-19(29-30-21)27-24(34)16-10-14(16)2)18(12-26-23)22-28-20-5-4-15(13-33(20)31-22)32-6-8-35-9-7-32/h4-5,11-14,16H,3,6-10H2,1-2H3,(H,25,26)(H,27,29,34)/t14-,16+/m0/s1/i1D3,2D3,13D
InChIKeyBWOCXFZPKVPNJV-QRHAKNJKSA-N
XLogP2.60
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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)-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-[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
cis-(1S,2R)-2-methyl-N-[5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(1,1,2,2,2-pentadeuterioethyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 178122906
cis-(1S,2R)-2-methyl-N-[5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(1,1,2,2,2-pentadeuterioethoxy)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 178122854
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-(methylamino)-5-(6-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 178122915
N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178122717
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c(N2CCOCC2)ccc2nc(-c3cnc(NCC([2H])([2H])[2H])c4nnc(NC(=O)[C@@H]5C[C@@H]5C([2H])([2H])[2H])cc34)nn12.
What is the InChIKey of 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?
The InChIKey is BWOCXFZPKVPNJV-QRHAKNJKSA-N. The full InChI is InChI=1S/C24H27N9O2/c1-3-25-23-21-17(11-19(29-30-21)27-24(34)16-10-14(16)2)18(12-26-23)22-28-20-5-4-15(13-33(20)31-22)32-6-8-35-9-7-32/h4-5,11-14,16H,3,6-10H2,1-2H3,(H,25,26)(H,27,29,34)/t14-,16+/m0/s1/i1D3,2D3,13D.
What are the key properties of 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?
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 has a molecular weight of 480.58 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178122945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).