(6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid

C23H25N3O3 — CID 174230404

IUPAC(6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid
SMILESCC(C)n1nc(-c2cncc(OCc3ccccc3)c2)c2c1C[C@H](C(=O)O)CC2
InChIInChI=1S/C23H25N3O3/c1-15(2)26-21-11-17(23(27)28)8-9-20(21)22(25-26)18-10-19(13-24-12-18)29-14-16-6-4-3-5-7-16/h3-7,10,12-13,15,17H,8-9,11,14H2,1-2H3,(H,27,28)/t17-/m1/s1
InChIKeyMTALJSJMFMUTOL-QGZVFWFLSA-N
MW391.47 g/mol
LogP4.29
Rot. Bonds6

About (6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid

(6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid (PubChem CID 174230404) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid
PubChem CID174230404
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid
SMILESCC(C)n1nc(-c2cncc(OCc3ccccc3)c2)c2c1C[C@H](C(=O)O)CC2
InChIInChI=1S/C23H25N3O3/c1-15(2)26-21-11-17(23(27)28)8-9-20(21)22(25-26)18-10-19(13-24-12-18)29-14-16-6-4-3-5-7-16/h3-7,10,12-13,15,17H,8-9,11,14H2,1-2H3,(H,27,28)/t17-/m1/s1
InChIKeyMTALJSJMFMUTOL-QGZVFWFLSA-N
XLogP4.29
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid?
The IUPAC name of (6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid (CID 174230404) is (6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid.
What is the SMILES notation for (6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid?
The canonical SMILES for (6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid is CC(C)n1nc(-c2cncc(OCc3ccccc3)c2)c2c1C[C@H](C(=O)O)CC2.
What is the InChIKey of (6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid?
The InChIKey is MTALJSJMFMUTOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(2)26-21-11-17(23(27)28)8-9-20(21)22(25-26)18-10-19(13-24-12-18)29-14-16-6-4-3-5-7-16/h3-7,10,12-13,15,17H,8-9,11,14H2,1-2H3,(H,27,28)/t17-/m1/s1.
What are the key properties of (6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid?
(6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid has a molecular weight of 391.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(5-phenylmethoxy-3-pyridinyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxylic acid is sourced from PubChem (CID 174230404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).