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

C21H23N5O2 — CID 89491845

IUPAC[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone
SMILESCn1ncc(-c2ccncc2)c1C(=O)N1CCC(O)(Cc2ccccn2)CC1
InChIInChI=1S/C21H23N5O2/c1-25-19(18(15-24-25)16-5-10-22-11-6-16)20(27)26-12-7-21(28,8-13-26)14-17-4-2-3-9-23-17/h2-6,9-11,15,28H,7-8,12-14H2,1H3
InChIKeyDXOFJBGKSVLDFV-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.09
Rot. Bonds4

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

[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone (PubChem CID 89491845) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone
PubChem CID89491845
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone
SMILESCn1ncc(-c2ccncc2)c1C(=O)N1CCC(O)(Cc2ccccn2)CC1
InChIInChI=1S/C21H23N5O2/c1-25-19(18(15-24-25)16-5-10-22-11-6-16)20(27)26-12-7-21(28,8-13-26)14-17-4-2-3-9-23-17/h2-6,9-11,15,28H,7-8,12-14H2,1H3
InChIKeyDXOFJBGKSVLDFV-UHFFFAOYSA-N
XLogP2.09
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone?
The IUPAC name of [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone (CID 89491845) is [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone is Cn1ncc(-c2ccncc2)c1C(=O)N1CCC(O)(Cc2ccccn2)CC1.
What is the InChIKey of [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone?
The InChIKey is DXOFJBGKSVLDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-19(18(15-24-25)16-5-10-22-11-6-16)20(27)26-12-7-21(28,8-13-26)14-17-4-2-3-9-23-17/h2-6,9-11,15,28H,7-8,12-14H2,1H3.
What are the key properties of [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone?
[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 89491845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).