[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

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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).