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

C23H26N4O2 — CID 121279570

IUPAC[3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(Oc2ccccc2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C23H26N4O2/c1-15(2)20-13-22(26-25-20)23(28)27-10-9-17(14-27)21-12-19(11-16(3)24-21)29-18-7-5-4-6-8-18/h4-8,11-13,15,17H,9-10,14H2,1-3H3,(H,25,26)
InChIKeyDUSIGXGNDHTSFH-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.66
Rot. Bonds5

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

[3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279570) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279570
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(Oc2ccccc2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C23H26N4O2/c1-15(2)20-13-22(26-25-20)23(28)27-10-9-17(14-27)21-12-19(11-16(3)24-21)29-18-7-5-4-6-8-18/h4-8,11-13,15,17H,9-10,14H2,1-3H3,(H,25,26)
InChIKeyDUSIGXGNDHTSFH-UHFFFAOYSA-N
XLogP4.66
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.66
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-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279570) is [3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1cc(Oc2ccccc2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.
What is the InChIKey of [3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is DUSIGXGNDHTSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(2)20-13-22(26-25-20)23(28)27-10-9-17(14-27)21-12-19(11-16(3)24-21)29-18-7-5-4-6-8-18/h4-8,11-13,15,17H,9-10,14H2,1-3H3,(H,25,26).
What are the key properties of [3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 390.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).