1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone

C17H17N5O — CID 9228509

IUPAC1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H17N5O/c23-17(16-14-3-1-2-4-15(14)19-20-16)22-11-9-21(10-12-22)13-5-7-18-8-6-13/h1-8H,9-12H2,(H,19,20)
InChIKeyZJHXOQQLAOFOIT-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.92
Rot. Bonds2

About 1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone

1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 9228509) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID9228509
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H17N5O/c23-17(16-14-3-1-2-4-15(14)19-20-16)22-11-9-21(10-12-22)13-5-7-18-8-6-13/h1-8H,9-12H2,(H,19,20)
InChIKeyZJHXOQQLAOFOIT-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

1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 90772263
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 75374117
1-(1H-indazole-3-carbonyl)-1,4-diazepan-5-one
CID 62045249
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
CID 31517577
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 9228509) is 1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is ZJHXOQQLAOFOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(16-14-3-1-2-4-15(14)19-20-16)22-11-9-21(10-12-22)13-5-7-18-8-6-13/h1-8H,9-12H2,(H,19,20).
What are the key properties of 1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
1H-indazol-3-yl-(4-pyridin-4-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-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 9228509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).