[4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone

C18H17BrN4O2S — CID 167769071

IUPAC[4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(Nc2ccc(-c3ccc(Br)s3)nn2)CC1
InChIInChI=1S/C18H17BrN4O2S/c19-16-3-2-15(26-16)14-1-4-17(22-21-14)20-13-5-8-23(9-6-13)18(24)12-7-10-25-11-12/h1-4,7,10-11,13H,5-6,8-9H2,(H,20,22)
InChIKeyDCOSKLPANGMIHY-UHFFFAOYSA-N
MW433.33 g/mol
LogP4.28
Rot. Bonds4

About [4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone

[4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 167769071) has the molecular formula C18H17BrN4O2S and a molecular weight of 433.33 g/mol. Its IUPAC name is [4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID167769071
Molecular FormulaC18H17BrN4O2S
Molecular Weight433.33 g/mol
Exact Mass432.03
IUPAC Name[4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(Nc2ccc(-c3ccc(Br)s3)nn2)CC1
InChIInChI=1S/C18H17BrN4O2S/c19-16-3-2-15(26-16)14-1-4-17(22-21-14)20-13-5-8-23(9-6-13)18(24)12-7-10-25-11-12/h1-4,7,10-11,13H,5-6,8-9H2,(H,20,22)
InChIKeyDCOSKLPANGMIHY-UHFFFAOYSA-N
XLogP4.28
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone with MolForge

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Related Compounds

4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 122059972
[4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 133436512
[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 133489193
N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 32822773
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 31660307
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56778575
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone
CID 97321950
(1R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 30746655
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 46451709

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone (CID 167769071) is [4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC(Nc2ccc(-c3ccc(Br)s3)nn2)CC1.
What is the InChIKey of [4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is DCOSKLPANGMIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2S/c19-16-3-2-15(26-16)14-1-4-17(22-21-14)20-13-5-8-23(9-6-13)18(24)12-7-10-25-11-12/h1-4,7,10-11,13H,5-6,8-9H2,(H,20,22).
What are the key properties of [4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
[4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 433.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 167769071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).