[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone

C20H18N6O2 — CID 170858800

IUPAC[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C20H18N6O2/c27-19(17-13-5-1-3-7-15(13)21-23-17)25-9-11-26(12-10-25)20(28)18-14-6-2-4-8-16(14)22-24-18/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChIKeyFLLUKWNFQWFRPD-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.04
Rot. Bonds2

About [4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 170858800) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is [4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID170858800
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C20H18N6O2/c27-19(17-13-5-1-3-7-15(13)21-23-17)25-9-11-26(12-10-25)20(28)18-14-6-2-4-8-16(14)22-24-18/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChIKeyFLLUKWNFQWFRPD-UHFFFAOYSA-N
XLogP2.04
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
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
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-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
(2S)-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 95295053
1-(1H-indazole-3-carbonyl)-1,4-diazepan-5-one
CID 62045249

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone (CID 170858800) is [4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of [4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is FLLUKWNFQWFRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-19(17-13-5-1-3-7-15(13)21-23-17)25-9-11-26(12-10-25)20(28)18-14-6-2-4-8-16(14)22-24-18/h1-8H,9-12H2,(H,21,23)(H,22,24).
What are the key properties of [4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone?
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 374.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 170858800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).