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

C25H27N7O2 — CID 178122906

IUPACcis-(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
SMILES[2H]C([2H])([2H])C([2H])([2H])c1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(NC(=O)[C@H]3C[C@H]3C)ncc12
InChIInChI=1S/C25H27N7O2/c1-3-21-19-12-27-22(28-25(33)17-10-15(17)2)11-18(19)20(13-26-21)24-29-23-5-4-16(14-32(23)30-24)31-6-8-34-9-7-31/h4-5,11-15,17H,3,6-10H2,1-2H3,(H,27,28,33)/t15-,17+/m1/s1/i1D3,3D2
InChIKeyLAEYMSLMGSCWCL-VPXKPQPHSA-N
MW462.57 g/mol
LogP3.33
Rot. Bonds6

About 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

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 (PubChem CID 178122906) has the molecular formula C25H27N7O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecis-(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
PubChem CID178122906
Molecular FormulaC25H27N7O2
Molecular Weight462.57 g/mol
Exact Mass462.25
IUPAC Namecis-(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
SMILES[2H]C([2H])([2H])C([2H])([2H])c1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(NC(=O)[C@H]3C[C@H]3C)ncc12
InChIInChI=1S/C25H27N7O2/c1-3-21-19-12-27-22(28-25(33)17-10-15(17)2)11-18(19)20(13-26-21)24-29-23-5-4-16(14-32(23)30-24)31-6-8-34-9-7-31/h4-5,11-15,17H,3,6-10H2,1-2H3,(H,27,28,33)/t15-,17+/m1/s1/i1D3,3D2
InChIKeyLAEYMSLMGSCWCL-VPXKPQPHSA-N
XLogP3.33
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-(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-[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
cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[(6S)-6-methyl-1,4-oxazepan-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 177186641
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-(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-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122767
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
(2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide
CID 177186877
N-[8-ethyl-5-[6-(7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122060

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])C([2H])([2H])c1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(NC(=O)[C@H]3C[C@H]3C)ncc12.
What is the InChIKey of 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?
The InChIKey is LAEYMSLMGSCWCL-VPXKPQPHSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-3-21-19-12-27-22(28-25(33)17-10-15(17)2)11-18(19)20(13-26-21)24-29-23-5-4-16(14-32(23)30-24)31-6-8-34-9-7-31/h4-5,11-15,17H,3,6-10H2,1-2H3,(H,27,28,33)/t15-,17+/m1/s1/i1D3,3D2.
What are the key properties of 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?
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 has a molecular weight of 462.57 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178122906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).