[4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone

C22H23N5O2 — CID 75495968

IUPAC[4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESNC1(C(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)Cc2ccccc2C1
InChIInChI=1S/C22H23N5O2/c23-22(13-15-5-1-2-6-16(15)14-22)21(29)27-11-9-26(10-12-27)20(28)19-17-7-3-4-8-18(17)24-25-19/h1-8H,9-14,23H2,(H,24,25)
InChIKeyLVTCZAGIXMCWIV-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.34
Rot. Bonds2

About [4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone

[4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 75495968) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID75495968
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESNC1(C(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)Cc2ccccc2C1
InChIInChI=1S/C22H23N5O2/c23-22(13-15-5-1-2-6-16(15)14-22)21(29)27-11-9-26(10-12-27)20(28)19-17-7-3-4-8-18(17)24-25-19/h1-8H,9-14,23H2,(H,24,25)
InChIKeyLVTCZAGIXMCWIV-UHFFFAOYSA-N
XLogP1.34
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 170858444
4-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 170858451
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95706821
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
CID 31517577
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone (CID 75495968) is [4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone is NC1(C(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)Cc2ccccc2C1.
What is the InChIKey of [4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is LVTCZAGIXMCWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-22(13-15-5-1-2-6-16(15)14-22)21(29)27-11-9-26(10-12-27)20(28)19-17-7-3-4-8-18(17)24-25-19/h1-8H,9-14,23H2,(H,24,25).
What are the key properties of [4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone?
[4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 389.46 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 75495968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).