[3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C21H25N5OS — CID 121279585

IUPAC[3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(-c2cnc(C)s2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C21H25N5OS/c1-12(2)17-9-19(25-24-17)21(27)26-6-5-15(11-26)18-8-16(7-13(3)23-18)20-10-22-14(4)28-20/h7-10,12,15H,5-6,11H2,1-4H3,(H,24,25)
InChIKeyJUGFUMWWAFDCJZ-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.30
Rot. Bonds4

About [3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279585) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is [3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279585
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name[3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(-c2cnc(C)s2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C21H25N5OS/c1-12(2)17-9-19(25-24-17)21(27)26-6-5-15(11-26)18-8-16(7-13(3)23-18)20-10-22-14(4)28-20/h7-10,12,15H,5-6,11H2,1-4H3,(H,24,25)
InChIKeyJUGFUMWWAFDCJZ-UHFFFAOYSA-N
XLogP4.30
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone with MolForge

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Related Compounds

US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
US10022354, Example 46
CID 121279427
US10022354, Example 47
CID 121279428
US10022354, Example 71
CID 121279677
US10022354, Example 45
CID 121279684
US10022354, Example 48
CID 121279687
US10022354, Example 69
CID 121279703
3-(5-ME-2-Thienyl)-N'-(1-(4-pyridinyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5393006
US10022354, Example 108
CID 121279610
US10022354, Example 90
CID 132070188

Frequently Asked Questions

What is the IUPAC name of [3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279585) is [3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1cc(-c2cnc(C)s2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.
What is the InChIKey of [3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is JUGFUMWWAFDCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-12(2)17-9-19(25-24-17)21(27)26-6-5-15(11-26)18-8-16(7-13(3)23-18)20-10-22-14(4)28-20/h7-10,12,15H,5-6,11H2,1-4H3,(H,24,25).
What are the key properties of [3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 395.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).