[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone

C21H23N5O2 — CID 56749620

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3cnn(-c4ccccn4)c3C)CC2)nc1
InChIInChI=1S/C21H23N5O2/c1-15-6-7-18(23-13-15)21(28)8-11-25(12-9-21)20(27)17-14-24-26(16(17)2)19-5-3-4-10-22-19/h3-7,10,13-14,28H,8-9,11-12H2,1-2H3
InChIKeyXWQGVBAIOVLDMZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.40
Rot. Bonds3

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone (PubChem CID 56749620) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
PubChem CID56749620
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3cnn(-c4ccccn4)c3C)CC2)nc1
InChIInChI=1S/C21H23N5O2/c1-15-6-7-18(23-13-15)21(28)8-11-25(12-9-21)20(27)17-14-24-26(16(17)2)19-5-3-4-10-22-19/h3-7,10,13-14,28H,8-9,11-12H2,1-2H3
InChIKeyXWQGVBAIOVLDMZ-UHFFFAOYSA-N
XLogP2.40
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone (CID 56749620) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone is Cc1ccc(C2(O)CCN(C(=O)c3cnn(-c4ccccn4)c3C)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The InChIKey is XWQGVBAIOVLDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-6-7-18(23-13-15)21(28)8-11-25(12-9-21)20(27)17-14-24-26(16(17)2)19-5-3-4-10-22-19/h3-7,10,13-14,28H,8-9,11-12H2,1-2H3.
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 56749620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).