N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide

C20H26N8OS — CID 57462839

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide
SMILESCCN[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3nccs3)n2)C1
InChIInChI=1S/C20H26N8OS/c1-4-21-15-5-7-27(11-15)12-18(29)23-16-10-17(28-14(3)9-13(2)26-28)25-19(24-16)20-22-6-8-30-20/h6,8-10,15,21H,4-5,7,11-12H2,1-3H3,(H,23,24,25,29)/t15-/m0/s1
InChIKeyAZJMBQIJRCIIOA-HNNXBMFYSA-N
MW426.55 g/mol
LogP2.02
Rot. Bonds7

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide (PubChem CID 57462839) has the molecular formula C20H26N8OS and a molecular weight of 426.55 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide
PubChem CID57462839
Molecular FormulaC20H26N8OS
Molecular Weight426.55 g/mol
Exact Mass426.20
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide
SMILESCCN[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3nccs3)n2)C1
InChIInChI=1S/C20H26N8OS/c1-4-21-15-5-7-27(11-15)12-18(29)23-16-10-17(28-14(3)9-13(2)26-28)25-19(24-16)20-22-6-8-30-20/h6,8-10,15,21H,4-5,7,11-12H2,1-3H3,(H,23,24,25,29)/t15-/m0/s1
InChIKeyAZJMBQIJRCIIOA-HNNXBMFYSA-N
XLogP2.02
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide (CID 57462839) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide is CCN[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3nccs3)n2)C1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is AZJMBQIJRCIIOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N8OS/c1-4-21-15-5-7-27(11-15)12-18(29)23-16-10-17(28-14(3)9-13(2)26-28)25-19(24-16)20-22-6-8-30-20/h6,8-10,15,21H,4-5,7,11-12H2,1-3H3,(H,23,24,25,29)/t15-/m0/s1.
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 426.55 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 57462839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).