2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid

C23H24F3N5O4 — CID 57485450

IUPAC2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(cnn4CC4CC4C(=O)O)c3)o2)C1
InChIInChI=1S/C23H24F3N5O4/c1-12-3-2-6-30(10-12)22-29-19(23(24,25)26)18(35-22)20(32)28-15-4-5-17-13(7-15)9-27-31(17)11-14-8-16(14)21(33)34/h4-5,7,9,12,14,16H,2-3,6,8,10-11H2,1H3,(H,28,32)(H,33,34)
InChIKeyWHNUGGCLQMYTIE-UHFFFAOYSA-N
MW491.47 g/mol
LogP4.25
Rot. Bonds6

About 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid

2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 57485450) has the molecular formula C23H24F3N5O4 and a molecular weight of 491.47 g/mol. Its IUPAC name is 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid
PubChem CID57485450
Molecular FormulaC23H24F3N5O4
Molecular Weight491.47 g/mol
Exact Mass491.18
IUPAC Name2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(cnn4CC4CC4C(=O)O)c3)o2)C1
InChIInChI=1S/C23H24F3N5O4/c1-12-3-2-6-30(10-12)22-29-19(23(24,25)26)18(35-22)20(32)28-15-4-5-17-13(7-15)9-27-31(17)11-14-8-16(14)21(33)34/h4-5,7,9,12,14,16H,2-3,6,8,10-11H2,1H3,(H,28,32)(H,33,34)
InChIKeyWHNUGGCLQMYTIE-UHFFFAOYSA-N
XLogP4.25
TPSA113.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 57461809
N-[1-(3-(2-fluorophenylamino)-3-oxopropyl)-1H-indol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 57461810
5-[[2-(3-methyl-1-piperidinyl)-4-(trifluoromethyl)-5-oxazoly]carbonylamino]-N-phenyl-1H-indazole-1-carboxamide
CID 57485446
5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide
CID 58428942
2-[1-(2-Methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429077
Ethyl 2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indazol-1-yl]methyl]cyclopropane-1-carboxylate
CID 58429193
Ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate
CID 67389652
N-[1-[(1-methylethyl)sulfonyl]-1H-indazol-5-yl]-2-(3-methyl-1-piperidinyl)-4-(trifluoromethyl)-5-oxazolecarboxamide
CID 67390057
N-(1H-indazol-5-yl)-2-(3-methyl-1-piperidinyl)-4-(trifluoromethyl)-5-oxazolecarboxamide
CID 67390510
N-(1H-indol-5-yl)-2-(3-methyl-1-piperidinyl)-4-(trifluoromethyl)-5-oxazolecarboxamide
CID 67391262
N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68524860
N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 163675348

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid (CID 57485450) is 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(cnn4CC4CC4C(=O)O)c3)o2)C1.
What is the InChIKey of 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is WHNUGGCLQMYTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O4/c1-12-3-2-6-30(10-12)22-29-19(23(24,25)26)18(35-22)20(32)28-15-4-5-17-13(7-15)9-27-31(17)11-14-8-16(14)21(33)34/h4-5,7,9,12,14,16H,2-3,6,8,10-11H2,1H3,(H,28,32)(H,33,34).
What are the key properties of 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 491.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 57485450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).