(2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide

C22H33N5O4 — CID 170613900

IUPAC(2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide
SMILESCN[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc2c(OC)nn(C)c2c1)C(C)(C)C
InChIInChI=1S/C22H33N5O4/c1-22(2,3)18(23-4)21(30)27-12-14(28)10-17(27)19(29)24-11-13-7-8-15-16(9-13)26(5)25-20(15)31-6/h7-9,14,17-18,23,28H,10-12H2,1-6H3,(H,24,29)/t14-,17+,18-/m1/s1
InChIKeyYWLIYKVLXWBYPR-FHLIZLRMSA-N
MW431.54 g/mol
LogP0.79
Rot. Bonds6

About (2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide

(2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 170613900) has the molecular formula C22H33N5O4 and a molecular weight of 431.54 g/mol. Its IUPAC name is (2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID170613900
Molecular FormulaC22H33N5O4
Molecular Weight431.54 g/mol
Exact Mass431.25
IUPAC Name(2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide
SMILESCN[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc2c(OC)nn(C)c2c1)C(C)(C)C
InChIInChI=1S/C22H33N5O4/c1-22(2,3)18(23-4)21(30)27-12-14(28)10-17(27)19(29)24-11-13-7-8-15-16(9-13)26(5)25-20(15)31-6/h7-9,14,17-18,23,28H,10-12H2,1-6H3,(H,24,29)/t14-,17+,18-/m1/s1
InChIKeyYWLIYKVLXWBYPR-FHLIZLRMSA-N
XLogP0.79
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide 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

(2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156557958
(2S,4R)-1-[(2R)-2-acetamido-3,3-dimethylbutanoyl]-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 177375259
methyl 8-[[1-[(2S,4R)-4-hydroxy-2-[1-(3-methoxy-1-methylindazol-5-yl)ethylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-8-oxooctanoate
CID 170329589
tert-butyl N-[(2R)-1-[(2S,4R)-2-[(4-bromophenyl)methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 167723407
(2S,4R)-1-[(2S)-3,3-dimethyl-2-(sulfanylamino)butanoyl]-4-hydroxy-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 145127261
(4R)-1-[(2S)-2-(tert-butylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 166016717
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-piperidin-4-yloxyacetyl)amino]butanoyl]-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 178069117
[(2S)-1-[(4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 139433243
(2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 176767544
(2R,4S)-1-(2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 166735255
methyl 1-[[(2S)-1-[(2S,4R)-2-[(4-ethynylphenyl)methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 166458386
(2S,4S)-1-[(2S)-3,3-dimethyl-2-(propanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 163299611

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide (CID 170613900) is (2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide is CN[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc2c(OC)nn(C)c2c1)C(C)(C)C.
What is the InChIKey of (2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is YWLIYKVLXWBYPR-FHLIZLRMSA-N. The full InChI is InChI=1S/C22H33N5O4/c1-22(2,3)18(23-4)21(30)27-12-14(28)10-17(27)19(29)24-11-13-7-8-15-16(9-13)26(5)25-20(15)31-6/h7-9,14,17-18,23,28H,10-12H2,1-6H3,(H,24,29)/t14-,17+,18-/m1/s1.
What are the key properties of (2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide?
(2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-4-hydroxy-N-[(3-methoxy-1-methylindazol-6-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170613900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).