(2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide

C26H32N6O4S — CID 89112078

IUPAC(2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
SMILESCC(C)Nc1nc([C@H]2C[C@H]3CC3N2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1
InChIInChI=1S/C26H32N6O4S/c1-14(2)28-26-30-19(13-37-26)21-12-17-11-20(17)32(21)25(36)23(34)22(33)24(35)29-15(3)16-5-7-18(8-6-16)31-10-4-9-27-31/h4-10,13-15,17,20-23,33-34H,11-12H2,1-3H3,(H,28,30)(H,29,35)/t15-,17-,20?,21-,22-,23-/m1/s1
InChIKeyYQPCMHVOSOAQCA-MVXVDDRNSA-N
MW524.65 g/mol
LogP2.41
Rot. Bonds9

About (2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide

(2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (PubChem CID 89112078) has the molecular formula C26H32N6O4S and a molecular weight of 524.65 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
PubChem CID89112078
Molecular FormulaC26H32N6O4S
Molecular Weight524.65 g/mol
Exact Mass524.22
IUPAC Name(2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
SMILESCC(C)Nc1nc([C@H]2C[C@H]3CC3N2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1
InChIInChI=1S/C26H32N6O4S/c1-14(2)28-26-30-19(13-37-26)21-12-17-11-20(17)32(21)25(36)23(34)22(33)24(35)29-15(3)16-5-7-18(8-6-16)31-10-4-9-27-31/h4-10,13-15,17,20-23,33-34H,11-12H2,1-3H3,(H,28,30)(H,29,35)/t15-,17-,20?,21-,22-,23-/m1/s1
InChIKeyYQPCMHVOSOAQCA-MVXVDDRNSA-N
XLogP2.41
TPSA132.61 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.65
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide 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

(2R,3R)-2,3-dihydroxy-4-[(1S,3R,5S)-3-[2-(methylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 54584805
(2R,3R)-4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 70329293
(2R,3R,6S)-2,3-dihydroxy-1-[(1R)-1-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-pyrazol-1-ylphenyl)heptane-1,4-dione
CID 123849405
(2R,3R)-2,3-dihydroxy-4-[(2R)-2-(2-methyl-3,4-dihydropyrazol-5-yl)pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 70931085
(2R,3R)-4-(4,5-difluoro-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 143154004
(3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanediamide
CID 71188262
N-[4-[(2R)-1-[(2R,3R,6S)-2,3-dihydroxy-4-oxo-6-(4-pyrazol-1-ylphenyl)heptanoyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanesulfonamide
CID 123288637
(2R,3R)-2,3-dihydroxy-4-[2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 59365210
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 111540891
(2S,4S)-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636935
N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119338096

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (CID 89112078) is (2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is CC(C)Nc1nc([C@H]2C[C@H]3CC3N2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The InChIKey is YQPCMHVOSOAQCA-MVXVDDRNSA-N. The full InChI is InChI=1S/C26H32N6O4S/c1-14(2)28-26-30-19(13-37-26)21-12-17-11-20(17)32(21)25(36)23(34)22(33)24(35)29-15(3)16-5-7-18(8-6-16)31-10-4-9-27-31/h4-10,13-15,17,20-23,33-34H,11-12H2,1-3H3,(H,28,30)(H,29,35)/t15-,17-,20?,21-,22-,23-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
(2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide has a molecular weight of 524.65 g/mol, XLogP of 2.41, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 89112078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).