(5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C17H25N5O3 — CID 95204607

IUPAC(5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCc1noc(CN(C)[C@@H]2CCc3c(c(C(=O)O)nn3CC(C)C)C2)n1
InChIInChI=1S/C17H25N5O3/c1-10(2)8-22-14-6-5-12(7-13(14)16(19-22)17(23)24)21(4)9-15-18-11(3)20-25-15/h10,12H,5-9H2,1-4H3,(H,23,24)/t12-/m1/s1
InChIKeyUHLUMFXOJRZFEJ-GFCCVEGCSA-N
MW347.42 g/mol
LogP1.92
Rot. Bonds6

About (5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

(5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 95204607) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID95204607
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCc1noc(CN(C)[C@@H]2CCc3c(c(C(=O)O)nn3CC(C)C)C2)n1
InChIInChI=1S/C17H25N5O3/c1-10(2)8-22-14-6-5-12(7-13(14)16(19-22)17(23)24)21(4)9-15-18-11(3)20-25-15/h10,12H,5-9H2,1-4H3,(H,23,24)/t12-/m1/s1
InChIKeyUHLUMFXOJRZFEJ-GFCCVEGCSA-N
XLogP1.92
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of (5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 95204607) is (5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for (5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for (5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is Cc1noc(CN(C)[C@@H]2CCc3c(c(C(=O)O)nn3CC(C)C)C2)n1.
What is the InChIKey of (5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is UHLUMFXOJRZFEJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-10(2)8-22-14-6-5-12(7-13(14)16(19-22)17(23)24)21(4)9-15-18-11(3)20-25-15/h10,12H,5-9H2,1-4H3,(H,23,24)/t12-/m1/s1.
What are the key properties of (5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
(5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 95204607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).