1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

C17H17N5O — CID 166207015

IUPAC1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H17N5O/c23-17(13-4-3-5-15-14(13)12-19-20-15)22-10-8-21(9-11-22)16-6-1-2-7-18-16/h1-7,12H,8-11H2,(H,19,20)
InChIKeyKDKUXHCOPLROLH-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.92
Rot. Bonds2

About 1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 166207015) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID166207015
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H17N5O/c23-17(13-4-3-5-15-14(13)12-19-20-15)22-10-8-21(9-11-22)16-6-1-2-7-18-16/h1-7,12H,8-11H2,(H,19,20)
InChIKeyKDKUXHCOPLROLH-UHFFFAOYSA-N
XLogP1.92
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166189721
[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166229211
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166328389
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 42554843
[5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 71824894
(2-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16546256
(4-phenylpiperazin-1-yl)-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174293
5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 110854947
1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 2933523

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 166207015) is 1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc2[nH]ncc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KDKUXHCOPLROLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(13-4-3-5-15-14(13)12-19-20-15)22-10-8-21(9-11-22)16-6-1-2-7-18-16/h1-7,12H,8-11H2,(H,19,20).
What are the key properties of 1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 307.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 166207015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).