(1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid

C19H22F3N3O2 — CID 142164302

IUPAC(1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESCn1nc(C2CCN(CC3C[C@H]3C(=O)O)CC2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H22F3N3O2/c1-24-16-9-13(19(20,21)22)2-3-14(16)17(23-24)11-4-6-25(7-5-11)10-12-8-15(12)18(26)27/h2-3,9,11-12,15H,4-8,10H2,1H3,(H,26,27)/t12?,15-/m1/s1
InChIKeyUXCISUACUASQIJ-WPZCJLIBSA-N
MW381.40 g/mol
LogP3.49
Rot. Bonds4

About (1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid

(1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 142164302) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is (1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
PubChem CID142164302
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name(1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESCn1nc(C2CCN(CC3C[C@H]3C(=O)O)CC2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H22F3N3O2/c1-24-16-9-13(19(20,21)22)2-3-14(16)17(23-24)11-4-6-25(7-5-11)10-12-8-15(12)18(26)27/h2-3,9,11-12,15H,4-8,10H2,1H3,(H,26,27)/t12?,15-/m1/s1
InChIKeyUXCISUACUASQIJ-WPZCJLIBSA-N
XLogP3.49
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid (CID 142164302) is (1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid is Cn1nc(C2CCN(CC3C[C@H]3C(=O)O)CC2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of (1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is UXCISUACUASQIJ-WPZCJLIBSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-24-16-9-13(19(20,21)22)2-3-14(16)17(23-24)11-4-6-25(7-5-11)10-12-8-15(12)18(26)27/h2-3,9,11-12,15H,4-8,10H2,1H3,(H,26,27)/t12?,15-/m1/s1.
What are the key properties of (1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid?
(1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 381.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 142164302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).