5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide

C20H18Cl4N4O2 — CID 126504238

IUPAC5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl
InChIInChI=1S/C20H18Cl4N4O2/c1-28-18(15(23)8-26-28)12-7-17(30-19(12)24)20(29)27-16-9-25-5-4-11(16)10-2-3-13(21)14(22)6-10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29)/t11-,16+/m0/s1
InChIKeyNFCORFXNZAURBM-MEDUHNTESA-N
MW488.20 g/mol
LogP5.17
Rot. Bonds4

About 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide

5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide (PubChem CID 126504238) has the molecular formula C20H18Cl4N4O2 and a molecular weight of 488.20 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide
PubChem CID126504238
Molecular FormulaC20H18Cl4N4O2
Molecular Weight488.20 g/mol
Exact Mass486.02
IUPAC Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl
InChIInChI=1S/C20H18Cl4N4O2/c1-28-18(15(23)8-26-28)12-7-17(30-19(12)24)20(29)27-16-9-25-5-4-11(16)10-2-3-13(21)14(22)6-10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29)/t11-,16+/m0/s1
InChIKeyNFCORFXNZAURBM-MEDUHNTESA-N
XLogP5.17
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.20
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide (CID 126504238) is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide is Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl.
What is the InChIKey of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide?
The InChIKey is NFCORFXNZAURBM-MEDUHNTESA-N. The full InChI is InChI=1S/C20H18Cl4N4O2/c1-28-18(15(23)8-26-28)12-7-17(30-19(12)24)20(29)27-16-9-25-5-4-11(16)10-2-3-13(21)14(22)6-10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29)/t11-,16+/m0/s1.
What are the key properties of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide?
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide has a molecular weight of 488.20 g/mol, XLogP of 5.17, 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-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 126504238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).