N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide

C30H33FN6O2 — CID 71516155

IUPACN-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C30H33FN6O2/c31-24-8-7-23-11-18-36(27(23)20-24)28-9-10-29(38)37(33-28)21-22-5-4-6-25(19-22)32-30(39)35-16-12-26(13-17-35)34-14-2-1-3-15-34/h4-11,18-20,26H,1-3,12-17,21H2,(H,32,39)
InChIKeyYCQYVOGJSHLXRW-UHFFFAOYSA-N
MW528.63 g/mol
LogP4.86
Rot. Bonds5

About N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide

N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide (PubChem CID 71516155) has the molecular formula C30H33FN6O2 and a molecular weight of 528.63 g/mol. Its IUPAC name is N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide
PubChem CID71516155
Molecular FormulaC30H33FN6O2
Molecular Weight528.63 g/mol
Exact Mass528.26
IUPAC NameN-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C30H33FN6O2/c31-24-8-7-23-11-18-36(27(23)20-24)28-9-10-29(38)37(33-28)21-22-5-4-6-25(19-22)32-30(39)35-16-12-26(13-17-35)34-14-2-1-3-15-34/h4-11,18-20,26H,1-3,12-17,21H2,(H,32,39)
InChIKeyYCQYVOGJSHLXRW-UHFFFAOYSA-N
XLogP4.86
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 71657338
6-(1H-indol-1-yl)-2-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)pyridazin-3(2H)-one
CID 44579538
6-(1H-indol-1-yl)-2-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl)pyridazin-3(2H)-one
CID 44579595
4-(dimethylamino)butyl N-[3-[(3-indol-1-yl-6-oxopyridazin-1-yl)methyl]phenyl]carbamate
CID 118734826
4-(dimethylamino)butyl N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 118734827
2-(dimethylamino)ethyl N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 118734828
3-(dimethylamino)propyl N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 118734829
5-(dimethylamino)pentyl N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 118734830
2-[2-(dimethylamino)ethoxy]ethyl N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 118734831
4-morpholin-4-ylbutyl N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 118734832
4-(4-methylpiperazin-1-yl)butyl N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 118734834
3-(4-methylpiperazin-1-yl)propyl N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 118734836

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide (CID 71516155) is N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide is O=C(Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide?
The InChIKey is YCQYVOGJSHLXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O2/c31-24-8-7-23-11-18-36(27(23)20-24)28-9-10-29(38)37(33-28)21-22-5-4-6-25(19-22)32-30(39)35-16-12-26(13-17-35)34-14-2-1-3-15-34/h4-11,18-20,26H,1-3,12-17,21H2,(H,32,39).
What are the key properties of N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide?
N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide has a molecular weight of 528.63 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71516155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).