6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide

C32H28FN7O — CID 44539941

IUPAC6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C32H28FN7O/c33-22-7-9-24(10-8-22)40-15-13-39(14-16-40)20-23-3-1-6-29(36-23)32(41)37-30-17-21(18-31-27(30)19-35-38-31)25-4-2-5-28-26(25)11-12-34-28/h1-12,17-19,34H,13-16,20H2,(H,35,38)(H,37,41)
InChIKeyDCCYINVTSIJLEN-UHFFFAOYSA-N
MW545.62 g/mol
LogP5.82
Rot. Bonds6

About 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide

6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide (PubChem CID 44539941) has the molecular formula C32H28FN7O and a molecular weight of 545.62 g/mol. Its IUPAC name is 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
PubChem CID44539941
Molecular FormulaC32H28FN7O
Molecular Weight545.62 g/mol
Exact Mass545.23
IUPAC Name6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C32H28FN7O/c33-22-7-9-24(10-8-22)40-15-13-39(14-16-40)20-23-3-1-6-29(36-23)32(41)37-30-17-21(18-31-27(30)19-35-38-31)25-4-2-5-28-26(25)11-12-34-28/h1-12,17-19,34H,13-16,20H2,(H,35,38)(H,37,41)
InChIKeyDCCYINVTSIJLEN-UHFFFAOYSA-N
XLogP5.82
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.62
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide (CID 44539941) is 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
The InChIKey is DCCYINVTSIJLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN7O/c33-22-7-9-24(10-8-22)40-15-13-39(14-16-40)20-23-3-1-6-29(36-23)32(41)37-30-17-21(18-31-27(30)19-35-38-31)25-4-2-5-28-26(25)11-12-34-28/h1-12,17-19,34H,13-16,20H2,(H,35,38)(H,37,41).
What are the key properties of 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide has a molecular weight of 545.62 g/mol, XLogP of 5.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 44539941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).