(4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone

C17H18N4O2 — CID 135499800

IUPAC(4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone
SMILESO=C(c1ccc2cc(-c3ccn[nH]3)[nH]c2c1)N1CCC(O)CC1
InChIInChI=1S/C17H18N4O2/c22-13-4-7-21(8-5-13)17(23)12-2-1-11-9-16(19-15(11)10-12)14-3-6-18-20-14/h1-3,6,9-10,13,19,22H,4-5,7-8H2,(H,18,20)
InChIKeyIZNNDKNAPHQXMY-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.15
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone

(4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone (PubChem CID 135499800) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone
PubChem CID135499800
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone
SMILESO=C(c1ccc2cc(-c3ccn[nH]3)[nH]c2c1)N1CCC(O)CC1
InChIInChI=1S/C17H18N4O2/c22-13-4-7-21(8-5-13)17(23)12-2-1-11-9-16(19-15(11)10-12)14-3-6-18-20-14/h1-3,6,9-10,13,19,22H,4-5,7-8H2,(H,18,20)
InChIKeyIZNNDKNAPHQXMY-UHFFFAOYSA-N
XLogP2.15
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone
CID 119070239
(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
CID 62916238
(6-hydroxy-1H-indol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 70013039
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 62112159
[4-(1-hydroxyethyl)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 106837074
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 62906319
1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 141096620
[3-(chloromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 2794604
methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
CID 43410335

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone (CID 135499800) is (4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone is O=C(c1ccc2cc(-c3ccn[nH]3)[nH]c2c1)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone?
The InChIKey is IZNNDKNAPHQXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-13-4-7-21(8-5-13)17(23)12-2-1-11-9-16(19-15(11)10-12)14-3-6-18-20-14/h1-3,6,9-10,13,19,22H,4-5,7-8H2,(H,18,20).
What are the key properties of (4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone?
(4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone is sourced from PubChem (CID 135499800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).