[4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone

C18H17BrN4O2 — CID 133481723

IUPAC[4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(Nc2ccnc3cc(Br)cnc23)CC1
InChIInChI=1S/C18H17BrN4O2/c19-12-10-15-17(21-11-12)14(3-6-20-15)22-13-4-7-23(8-5-13)18(24)16-2-1-9-25-16/h1-3,6,9-11,13H,4-5,7-8H2,(H,20,22)
InChIKeySJXTVTGFDAKECU-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.70
Rot. Bonds3

About [4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone

[4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 133481723) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is [4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID133481723
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC Name[4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(Nc2ccnc3cc(Br)cnc23)CC1
InChIInChI=1S/C18H17BrN4O2/c19-12-10-15-17(21-11-12)14(3-6-20-15)22-13-4-7-23(8-5-13)18(24)16-2-1-9-25-16/h1-3,6,9-11,13H,4-5,7-8H2,(H,20,22)
InChIKeySJXTVTGFDAKECU-UHFFFAOYSA-N
XLogP3.70
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133373359
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 18144589
N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133481732
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one
CID 105023349
1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea
CID 86791229
furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 133489078
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 133481833
furan-2-yl-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 18150145

Frequently Asked Questions

What is the IUPAC name of [4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone (CID 133481723) is [4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(Nc2ccnc3cc(Br)cnc23)CC1.
What is the InChIKey of [4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SJXTVTGFDAKECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c19-12-10-15-17(21-11-12)14(3-6-20-15)22-13-4-7-23(8-5-13)18(24)16-2-1-9-25-16/h1-3,6,9-11,13H,4-5,7-8H2,(H,20,22).
What are the key properties of [4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
[4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 401.26 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 133481723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).