N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide

C26H29F3N6O — CID 135319388

IUPACN-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cc(C(F)(F)F)c5ncnn5c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C26H29F3N6O/c1-15(2)23-19-10-17(16-6-8-34(9-7-16)13-22(36)30-3)4-5-21(19)33-24(23)18-11-20(26(27,28)29)25-31-14-32-35(25)12-18/h4-5,10-12,14-16,33H,6-9,13H2,1-3H3,(H,30,36)
InChIKeyDTAWKZXOTKNOMC-UHFFFAOYSA-N
MW498.55 g/mol
LogP4.95
Rot. Bonds5

About N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide

N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide (PubChem CID 135319388) has the molecular formula C26H29F3N6O and a molecular weight of 498.55 g/mol. Its IUPAC name is N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide
PubChem CID135319388
Molecular FormulaC26H29F3N6O
Molecular Weight498.55 g/mol
Exact Mass498.24
IUPAC NameN-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cc(C(F)(F)F)c5ncnn5c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C26H29F3N6O/c1-15(2)23-19-10-17(16-6-8-34(9-7-16)13-22(36)30-3)4-5-21(19)33-24(23)18-11-20(26(27,28)29)25-31-14-32-35(25)12-18/h4-5,10-12,14-16,33H,6-9,13H2,1-3H3,(H,30,36)
InChIKeyDTAWKZXOTKNOMC-UHFFFAOYSA-N
XLogP4.95
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide (CID 135319388) is N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(c2ccc3[nH]c(-c4cc(C(F)(F)F)c5ncnn5c4)c(C(C)C)c3c2)CC1.
What is the InChIKey of N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide?
The InChIKey is DTAWKZXOTKNOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O/c1-15(2)23-19-10-17(16-6-8-34(9-7-16)13-22(36)30-3)4-5-21(19)33-24(23)18-11-20(26(27,28)29)25-31-14-32-35(25)12-18/h4-5,10-12,14-16,33H,6-9,13H2,1-3H3,(H,30,36).
What are the key properties of N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide?
N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 498.55 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 135319388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).