(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone

C19H20N4O — CID 78859047

IUPAC(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C19H20N4O/c1-14-7-8-17-16(13-14)18(21-20-17)19(24)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyFTLCUEDMWQHHAJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.83
Rot. Bonds2

About (5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone

(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 78859047) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID78859047
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C19H20N4O/c1-14-7-8-17-16(13-14)18(21-20-17)19(24)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyFTLCUEDMWQHHAJ-UHFFFAOYSA-N
XLogP2.83
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78858969
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 78868399
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78858955
[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124698924
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78868617
8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one
CID 15987691

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (CID 78859047) is (5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1ccc2[nH]nc(C(=O)N3CCN(c4ccccc4)CC3)c2c1.
What is the InChIKey of (5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FTLCUEDMWQHHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-7-8-17-16(13-14)18(21-20-17)19(24)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,20,21).
What are the key properties of (5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 320.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 78859047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).