(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C18H25N5O3 — CID 95228054

IUPAC(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1nc(C3CC3)no1)C2
InChIInChI=1S/C18H25N5O3/c1-3-8-23-14-7-6-12(9-13(14)16(20-23)18(24)25)22(2)10-15-19-17(21-26-15)11-4-5-11/h11-12H,3-10H2,1-2H3,(H,24,25)/t12-/m0/s1
InChIKeyBELBMICLGDGBAL-LBPRGKRZSA-N
MW359.43 g/mol
LogP2.24
Rot. Bonds7

About (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 95228054) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID95228054
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1nc(C3CC3)no1)C2
InChIInChI=1S/C18H25N5O3/c1-3-8-23-14-7-6-12(9-13(14)16(20-23)18(24)25)22(2)10-15-19-17(21-26-15)11-4-5-11/h11-12H,3-10H2,1-2H3,(H,24,25)/t12-/m0/s1
InChIKeyBELBMICLGDGBAL-LBPRGKRZSA-N
XLogP2.24
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 95228054) is (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1nc(C3CC3)no1)C2.
What is the InChIKey of (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is BELBMICLGDGBAL-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-8-23-14-7-6-12(9-13(14)16(20-23)18(24)25)22(2)10-15-19-17(21-26-15)11-4-5-11/h11-12H,3-10H2,1-2H3,(H,24,25)/t12-/m0/s1.
What are the key properties of (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 95228054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).