[3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C17H22N4O2 — CID 121279699

IUPAC[3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCOc1ccc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)nc1
InChIInChI=1S/C17H22N4O2/c1-11(2)15-8-16(20-19-15)17(22)21-7-6-12(10-21)14-5-4-13(23-3)9-18-14/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,19,20)
InChIKeyVDFMKQKNIIWNJU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.57
Rot. Bonds4

About [3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279699) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279699
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCOc1ccc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)nc1
InChIInChI=1S/C17H22N4O2/c1-11(2)15-8-16(20-19-15)17(22)21-7-6-12(10-21)14-5-4-13(23-3)9-18-14/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,19,20)
InChIKeyVDFMKQKNIIWNJU-UHFFFAOYSA-N
XLogP2.57
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone 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 [3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279699) is [3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is COc1ccc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)nc1.
What is the InChIKey of [3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is VDFMKQKNIIWNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)15-8-16(20-19-15)17(22)21-7-6-12(10-21)14-5-4-13(23-3)9-18-14/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,19,20).
What are the key properties of [3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).