[3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone

C19H21ClN4O2 — CID 131906491

IUPAC[3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESCn1nc(CNC2CCCN(C(=O)c3ccco3)C2)c2c(Cl)cccc21
InChIInChI=1S/C19H21ClN4O2/c1-23-16-7-2-6-14(20)18(16)15(22-23)11-21-13-5-3-9-24(12-13)19(25)17-8-4-10-26-17/h2,4,6-8,10,13,21H,3,5,9,11-12H2,1H3
InChIKeyBINZLOICWYKGEK-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.21
Rot. Bonds4

About [3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone

[3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 131906491) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is [3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID131906491
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name[3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESCn1nc(CNC2CCCN(C(=O)c3ccco3)C2)c2c(Cl)cccc21
InChIInChI=1S/C19H21ClN4O2/c1-23-16-7-2-6-14(20)18(16)15(22-23)11-21-13-5-3-9-24(12-13)19(25)17-8-4-10-26-17/h2,4,6-8,10,13,21H,3,5,9,11-12H2,1H3
InChIKeyBINZLOICWYKGEK-UHFFFAOYSA-N
XLogP3.21
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(1-methylindol-3-yl)acetamide
CID 131907095
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131939712
N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643
[(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 95719033
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041
N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide
CID 131897899
furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 50962643
N-[1-(furan-2-carbonyl)piperidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 91829889
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 131918980

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone (CID 131906491) is [3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone is Cn1nc(CNC2CCCN(C(=O)c3ccco3)C2)c2c(Cl)cccc21.
What is the InChIKey of [3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is BINZLOICWYKGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-23-16-7-2-6-14(20)18(16)15(22-23)11-21-13-5-3-9-24(12-13)19(25)17-8-4-10-26-17/h2,4,6-8,10,13,21H,3,5,9,11-12H2,1H3.
What are the key properties of [3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone?
[3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 372.86 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 131906491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).