7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C27H32N8 — CID 135376171

IUPAC7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(C4CCN(Cc5cn[nH]n5)CC4)cc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H32N8/c1-16(2)25-22-11-20(19-7-9-34(10-8-19)13-21-12-29-33-32-21)5-6-24(22)31-26(25)23-14-35-27(28-15-30-35)18(4)17(23)3/h5-6,11-12,14-16,19,31H,7-10,13H2,1-4H3,(H,29,32,33)
InChIKeyYUZJVMLDULRNDN-UHFFFAOYSA-N
MW468.61 g/mol
LogP5.12
Rot. Bonds5

About 7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 135376171) has the molecular formula C27H32N8 and a molecular weight of 468.61 g/mol. Its IUPAC name is 7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID135376171
Molecular FormulaC27H32N8
Molecular Weight468.61 g/mol
Exact Mass468.27
IUPAC Name7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(C4CCN(Cc5cn[nH]n5)CC4)cc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H32N8/c1-16(2)25-22-11-20(19-7-9-34(10-8-19)13-21-12-29-33-32-21)5-6-24(22)31-26(25)23-14-35-27(28-15-30-35)18(4)17(23)3/h5-6,11-12,14-16,19,31H,7-10,13H2,1-4H3,(H,29,32,33)
InChIKeyYUZJVMLDULRNDN-UHFFFAOYSA-N
XLogP5.12
TPSA90.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.61
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 135376171) is 7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(-c2[nH]c3ccc(C4CCN(Cc5cn[nH]n5)CC4)cc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YUZJVMLDULRNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8/c1-16(2)25-22-11-20(19-7-9-34(10-8-19)13-21-12-29-33-32-21)5-6-24(22)31-26(25)23-14-35-27(28-15-30-35)18(4)17(23)3/h5-6,11-12,14-16,19,31H,7-10,13H2,1-4H3,(H,29,32,33).
What are the key properties of 7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 468.61 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-6-[3-propan-2-yl-5-[1-(2H-triazol-4-ylmethyl)piperidin-4-yl]-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 135376171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).