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

C17H23N5O3 — CID 95223778

IUPAC(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1nc(C3CC3)no1)C2
InChIInChI=1S/C17H23N5O3/c1-3-22-13-7-6-11(8-12(13)15(19-22)17(23)24)21(2)9-14-18-16(20-25-14)10-4-5-10/h10-11H,3-9H2,1-2H3,(H,23,24)/t11-/m0/s1
InChIKeyZEHBJOXAPSQJDN-NSHDSACASA-N
MW345.40 g/mol
LogP1.85
Rot. Bonds6

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

(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 95223778) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-ethyl-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-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID95223778
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1nc(C3CC3)no1)C2
InChIInChI=1S/C17H23N5O3/c1-3-22-13-7-6-11(8-12(13)15(19-22)17(23)24)21(2)9-14-18-16(20-25-14)10-4-5-10/h10-11H,3-9H2,1-2H3,(H,23,24)/t11-/m0/s1
InChIKeyZEHBJOXAPSQJDN-NSHDSACASA-N
XLogP1.85
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95228054
(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
(5R)-1-ethyl-5-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95221782
1-ethyl-5-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56708644
azepan-1-yl-[1-ethyl-5-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45164525
(5R)-5-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95202249
1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56723540
[5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45161185
(5S)-5-(diethylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 28737608
(5R)-1-ethyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95206034
[5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45164969
(3R)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 36722761

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-ethyl-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-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 95223778) is (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-ethyl-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-ethyl-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-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCn1nc(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-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is ZEHBJOXAPSQJDN-NSHDSACASA-N. The full InChI is InChI=1S/C17H23N5O3/c1-3-22-13-7-6-11(8-12(13)15(19-22)17(23)24)21(2)9-14-18-16(20-25-14)10-4-5-10/h10-11H,3-9H2,1-2H3,(H,23,24)/t11-/m0/s1.
What are the key properties of (5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 1.85, 6 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-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 95223778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).