[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone

C23H24N6O — CID 118960075

IUPAC[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)N5CCNCC5)cc34)cc2)cn1
InChIInChI=1S/C23H24N6O/c1-28-15-19(14-25-28)17-4-2-16(3-5-17)12-22-20-13-18(6-7-21(20)26-27-22)23(30)29-10-8-24-9-11-29/h2-7,13-15,24H,8-12H2,1H3,(H,26,27)
InChIKeyQZIQKCPFANRCTO-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.60
Rot. Bonds4

About [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone

[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone (PubChem CID 118960075) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone
PubChem CID118960075
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)N5CCNCC5)cc34)cc2)cn1
InChIInChI=1S/C23H24N6O/c1-28-15-19(14-25-28)17-4-2-16(3-5-17)12-22-20-13-18(6-7-21(20)26-27-22)23(30)29-10-8-24-9-11-29/h2-7,13-15,24H,8-12H2,1H3,(H,26,27)
InChIKeyQZIQKCPFANRCTO-UHFFFAOYSA-N
XLogP2.60
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone?
The IUPAC name of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone (CID 118960075) is [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)N5CCNCC5)cc34)cc2)cn1.
What is the InChIKey of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone?
The InChIKey is QZIQKCPFANRCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-28-15-19(14-25-28)17-4-2-16(3-5-17)12-22-20-13-18(6-7-21(20)26-27-22)23(30)29-10-8-24-9-11-29/h2-7,13-15,24H,8-12H2,1H3,(H,26,27).
What are the key properties of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone?
[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone has a molecular weight of 400.49 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 118960075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).