tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate

C25H30N8O2 — CID 162714950

IUPACtert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate
SMILESC[C@H]1CN(c2ccc(C#N)c3ncnn23)Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc21
InChIInChI=1S/C25H30N8O2/c1-17-14-32(21-8-6-18(13-26)23-27-16-28-33(21)23)15-19-5-7-20(29-22(17)19)30-9-11-31(12-10-30)24(34)35-25(2,3)4/h5-8,16-17H,9-12,14-15H2,1-4H3/t17-/m0/s1
InChIKeyKHKLNZQKHAPODQ-KRWDZBQOSA-N
MW474.57 g/mol
LogP3.18
Rot. Bonds2

About tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate (PubChem CID 162714950) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate
PubChem CID162714950
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Nametert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate
SMILESC[C@H]1CN(c2ccc(C#N)c3ncnn23)Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc21
InChIInChI=1S/C25H30N8O2/c1-17-14-32(21-8-6-18(13-26)23-27-16-28-33(21)23)15-19-5-7-20(29-22(17)19)30-9-11-31(12-10-30)24(34)35-25(2,3)4/h5-8,16-17H,9-12,14-15H2,1-4H3/t17-/m0/s1
InChIKeyKHKLNZQKHAPODQ-KRWDZBQOSA-N
XLogP3.18
TPSA102.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 7-[[4-[6-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazin-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 162714951
tert-butyl (9S)-9-methyl-2-piperidin-1-yl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxylate
CID 58006353
tert-butyl (9S)-2-(4-fluoropiperidin-1-yl)-9-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxylate
CID 58006308
tert-butyl 4-[(7R)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperazine-1-carboxylate
CID 91666158
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(3-cyano-6-ethyl-2-pyridinyl)piperazine-1-carboxylate
CID 167443704
tert-butyl 4-[2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate;ethane
CID 145169422
tert-butyl 4-(5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)piperazine-1-carboxylate
CID 146275994
tert-butyl 4-(6-acetyl-2-pyridinyl)piperazine-1-carboxylate
CID 168933947
2-cyano-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 99770705
tert-butyl 2-piperidin-1-yl-9-propan-2-yl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxylate
CID 58006435
tert-butyl 4-(6-ethynylpyridazin-3-yl)piperazine-1-carboxylate
CID 99978985

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate (CID 162714950) is tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate is C[C@H]1CN(c2ccc(C#N)c3ncnn23)Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc21.
What is the InChIKey of tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate?
The InChIKey is KHKLNZQKHAPODQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-17-14-32(21-8-6-18(13-26)23-27-16-28-33(21)23)15-19-5-7-20(29-22(17)19)30-9-11-31(12-10-30)24(34)35-25(2,3)4/h5-8,16-17H,9-12,14-15H2,1-4H3/t17-/m0/s1.
What are the key properties of tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate has a molecular weight of 474.57 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(8S)-6-(8-cyano-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 162714950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).