N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide

C28H31F3N8O2 — CID 135992360

IUPACN-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N5CCC(CNC(=O)C(F)(F)F)CC5)[nH]4)c3c2)c1C
InChIInChI=1S/C28H31F3N8O2/c1-3-32-12-19-13-33-14-21(16(19)2)18-4-5-22-20(10-18)24(38-37-22)25-34-15-23(36-25)26(40)39-8-6-17(7-9-39)11-35-27(41)28(29,30)31/h4-5,10,13-15,17,32H,3,6-9,11-12H2,1-2H3,(H,34,36)(H,35,41)(H,37,38)
InChIKeyAHZTYMTZKKXPMP-UHFFFAOYSA-N
MW568.60 g/mol
LogP3.96
Rot. Bonds8

About N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide

N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 135992360) has the molecular formula C28H31F3N8O2 and a molecular weight of 568.60 g/mol. Its IUPAC name is N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID135992360
Molecular FormulaC28H31F3N8O2
Molecular Weight568.60 g/mol
Exact Mass568.25
IUPAC NameN-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N5CCC(CNC(=O)C(F)(F)F)CC5)[nH]4)c3c2)c1C
InChIInChI=1S/C28H31F3N8O2/c1-3-32-12-19-13-33-14-21(16(19)2)18-4-5-22-20(10-18)24(38-37-22)25-34-15-23(36-25)26(40)39-8-6-17(7-9-39)11-35-27(41)28(29,30)31/h4-5,10,13-15,17,32H,3,6-9,11-12H2,1-2H3,(H,34,36)(H,35,41)(H,37,38)
InChIKeyAHZTYMTZKKXPMP-UHFFFAOYSA-N
XLogP3.96
TPSA131.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.60
LogP ≤ 53.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide (CID 135992360) is N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide is CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N5CCC(CNC(=O)C(F)(F)F)CC5)[nH]4)c3c2)c1C.
What is the InChIKey of N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is AHZTYMTZKKXPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N8O2/c1-3-32-12-19-13-33-14-21(16(19)2)18-4-5-22-20(10-18)24(38-37-22)25-34-15-23(36-25)26(40)39-8-6-17(7-9-39)11-35-27(41)28(29,30)31/h4-5,10,13-15,17,32H,3,6-9,11-12H2,1-2H3,(H,34,36)(H,35,41)(H,37,38).
What are the key properties of N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 568.60 g/mol, XLogP of 3.96, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 135992360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).