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

C25H27N7O3 — CID 178122854

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-pentadeuterioethoxy)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILES[2H]C([2H])([2H])C([2H])([2H])Oc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(NC(=O)[C@H]3C[C@H]3C)ncc12
InChIInChI=1S/C25H27N7O3/c1-3-35-25-20-13-26-21(28-24(33)17-10-15(17)2)11-18(20)19(12-27-25)23-29-22-5-4-16(14-32(22)30-23)31-6-8-34-9-7-31/h4-5,11-15,17H,3,6-10H2,1-2H3,(H,26,28,33)/t15-,17+/m1/s1/i1D3,3D2
InChIKeyYRPUJKHSEJCXTD-VPXKPQPHSA-N
MW478.57 g/mol
LogP3.17
Rot. Bonds7

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-pentadeuterioethoxy)-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-pentadeuterioethoxy)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 178122854) has the molecular formula C25H27N7O3 and a molecular weight of 478.57 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-pentadeuterioethoxy)-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-pentadeuterioethoxy)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID178122854
Molecular FormulaC25H27N7O3
Molecular Weight478.57 g/mol
Exact Mass478.25
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-pentadeuterioethoxy)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILES[2H]C([2H])([2H])C([2H])([2H])Oc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(NC(=O)[C@H]3C[C@H]3C)ncc12
InChIInChI=1S/C25H27N7O3/c1-3-35-25-20-13-26-21(28-24(33)17-10-15(17)2)11-18(20)19(12-27-25)23-29-22-5-4-16(14-32(22)30-23)31-6-8-34-9-7-31/h4-5,11-15,17H,3,6-10H2,1-2H3,(H,26,28,33)/t15-,17+/m1/s1/i1D3,3D2
InChIKeyYRPUJKHSEJCXTD-VPXKPQPHSA-N
XLogP3.17
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-pentadeuterioethoxy)-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-pentadeuterioethyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 178122906
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
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-(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,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
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
cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 177186728
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

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-pentadeuterioethoxy)-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-pentadeuterioethoxy)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 178122854) 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-pentadeuterioethoxy)-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-pentadeuterioethoxy)-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-pentadeuterioethoxy)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is [2H]C([2H])([2H])C([2H])([2H])Oc1ncc(-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-pentadeuterioethoxy)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is YRPUJKHSEJCXTD-VPXKPQPHSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-3-35-25-20-13-26-21(28-24(33)17-10-15(17)2)11-18(20)19(12-27-25)23-29-22-5-4-16(14-32(22)30-23)31-6-8-34-9-7-31/h4-5,11-15,17H,3,6-10H2,1-2H3,(H,26,28,33)/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-pentadeuterioethoxy)-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-pentadeuterioethoxy)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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-pentadeuterioethoxy)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 178122854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).