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

C21H24N4OS — CID 121279707

IUPAC[3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(-c2ccsc2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C21H24N4OS/c1-13(2)18-10-20(24-23-18)21(26)25-6-4-15(11-25)19-9-17(8-14(3)22-19)16-5-7-27-12-16/h5,7-10,12-13,15H,4,6,11H2,1-3H3,(H,23,24)
InChIKeyAMLCZZBEFOGSRO-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.59
Rot. Bonds4

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

[3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279707) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is [3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279707
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name[3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(-c2ccsc2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C21H24N4OS/c1-13(2)18-10-20(24-23-18)21(26)25-6-4-15(11-25)19-9-17(8-14(3)22-19)16-5-7-27-12-16/h5,7-10,12-13,15H,4,6,11H2,1-3H3,(H,23,24)
InChIKeyAMLCZZBEFOGSRO-UHFFFAOYSA-N
XLogP4.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279707) is [3-(6-methyl-4-thiophen-3-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-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1cc(-c2ccsc2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.
What is the InChIKey of [3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is AMLCZZBEFOGSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-13(2)18-10-20(24-23-18)21(26)25-6-4-15(11-25)19-9-17(8-14(3)22-19)16-5-7-27-12-16/h5,7-10,12-13,15H,4,6,11H2,1-3H3,(H,23,24).
What are the key properties of [3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 380.52 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methyl-4-thiophen-3-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).