N,N-dimethyl-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

C27H31F3N6O — CID 135319392

IUPACN,N-dimethyl-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
SMILESCC(C)c1c(-c2cc(C(F)(F)F)c3ncnn3c2)[nH]c2ccc(C3CCN(CC(=O)N(C)C)CC3)cc12
InChIInChI=1S/C27H31F3N6O/c1-16(2)24-20-11-18(17-7-9-35(10-8-17)14-23(37)34(3)4)5-6-22(20)33-25(24)19-12-21(27(28,29)30)26-31-15-32-36(26)13-19/h5-6,11-13,15-17,33H,7-10,14H2,1-4H3
InChIKeyHEIHVGFANRQDRH-UHFFFAOYSA-N
MW512.58 g/mol
LogP5.29
Rot. Bonds5

About N,N-dimethyl-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,N-dimethyl-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 135319392) has the molecular formula C27H31F3N6O and a molecular weight of 512.58 g/mol. Its IUPAC name is N,N-dimethyl-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,N-dimethyl-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 CID135319392
Molecular FormulaC27H31F3N6O
Molecular Weight512.58 g/mol
Exact Mass512.25
IUPAC NameN,N-dimethyl-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
SMILESCC(C)c1c(-c2cc(C(F)(F)F)c3ncnn3c2)[nH]c2ccc(C3CCN(CC(=O)N(C)C)CC3)cc12
InChIInChI=1S/C27H31F3N6O/c1-16(2)24-20-11-18(17-7-9-35(10-8-17)14-23(37)34(3)4)5-6-22(20)33-25(24)19-12-21(27(28,29)30)26-31-15-32-36(26)13-19/h5-6,11-13,15-17,33H,7-10,14H2,1-4H3
InChIKeyHEIHVGFANRQDRH-UHFFFAOYSA-N
XLogP5.29
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.58
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-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,N-dimethyl-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 135319392) is N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-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 CC(C)c1c(-c2cc(C(F)(F)F)c3ncnn3c2)[nH]c2ccc(C3CCN(CC(=O)N(C)C)CC3)cc12.
What is the InChIKey of N,N-dimethyl-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 HEIHVGFANRQDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N6O/c1-16(2)24-20-11-18(17-7-9-35(10-8-17)14-23(37)34(3)4)5-6-22(20)33-25(24)19-12-21(27(28,29)30)26-31-15-32-36(26)13-19/h5-6,11-13,15-17,33H,7-10,14H2,1-4H3.
What are the key properties of N,N-dimethyl-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,N-dimethyl-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 512.58 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-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 135319392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).