5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide

C20H19Cl2FN4O2 — CID 127052920

IUPAC5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)oc1Cl
InChIInChI=1S/C20H19Cl2FN4O2/c1-27-17(15(21)11-25-27)14-10-16(29-18(14)22)19(28)26-20(6-8-24-9-7-20)12-2-4-13(23)5-3-12/h2-5,10-11,24H,6-9H2,1H3,(H,26,28)
InChIKeyMEMRHVNWMQWCLF-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.13
Rot. Bonds4

About 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide

5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 127052920) has the molecular formula C20H19Cl2FN4O2 and a molecular weight of 437.30 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID127052920
Molecular FormulaC20H19Cl2FN4O2
Molecular Weight437.30 g/mol
Exact Mass436.09
IUPAC Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)oc1Cl
InChIInChI=1S/C20H19Cl2FN4O2/c1-27-17(15(21)11-25-27)14-10-16(29-18(14)22)19(28)26-20(6-8-24-9-7-20)12-2-4-13(23)5-3-12/h2-5,10-11,24H,6-9H2,1H3,(H,26,28)
InChIKeyMEMRHVNWMQWCLF-UHFFFAOYSA-N
XLogP4.13
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide (CID 127052920) is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide is Cn1ncc(Cl)c1-c1cc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)oc1Cl.
What is the InChIKey of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is MEMRHVNWMQWCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN4O2/c1-27-17(15(21)11-25-27)14-10-16(29-18(14)22)19(28)26-20(6-8-24-9-7-20)12-2-4-13(23)5-3-12/h2-5,10-11,24H,6-9H2,1H3,(H,26,28).
What are the key properties of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide?
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 437.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 127052920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).