6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

C24H27N7 — CID 162506529

IUPAC6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILES[C-]#[N+]CCN1CCC(c2[nH]nc3cc(-c4cc(C)c5ncnn5c4)c(CC)cc23)CC1
InChIInChI=1S/C24H27N7/c1-4-17-12-21-22(13-20(17)19-11-16(2)24-26-15-27-31(24)14-19)28-29-23(21)18-5-8-30(9-6-18)10-7-25-3/h11-15,18H,4-10H2,1-2H3,(H,28,29)
InChIKeyCEYVUGQJJBBJPO-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.24
Rot. Bonds5

About 6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162506529) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID162506529
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILES[C-]#[N+]CCN1CCC(c2[nH]nc3cc(-c4cc(C)c5ncnn5c4)c(CC)cc23)CC1
InChIInChI=1S/C24H27N7/c1-4-17-12-21-22(13-20(17)19-11-16(2)24-26-15-27-31(24)14-19)28-29-23(21)18-5-8-30(9-6-18)10-7-25-3/h11-15,18H,4-10H2,1-2H3,(H,28,29)
InChIKeyCEYVUGQJJBBJPO-UHFFFAOYSA-N
XLogP4.24
TPSA66.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 162506529) is 6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is [C-]#[N+]CCN1CCC(c2[nH]nc3cc(-c4cc(C)c5ncnn5c4)c(CC)cc23)CC1.
What is the InChIKey of 6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CEYVUGQJJBBJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-4-17-12-21-22(13-20(17)19-11-16(2)24-26-15-27-31(24)14-19)28-29-23(21)18-5-8-30(9-6-18)10-7-25-3/h11-15,18H,4-10H2,1-2H3,(H,28,29).
What are the key properties of 6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 413.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-ethyl-3-[1-(2-isocyanoethyl)piperidin-4-yl]-2H-indazol-6-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162506529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).