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

C20H18Cl2F2N4OS — CID 155562030

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)sc1Cl
InChIInChI=1S/C20H18Cl2F2N4OS/c1-28-18(13(21)8-26-28)12-7-17(30-19(12)22)20(29)27-16-9-25-5-4-11(16)10-2-3-14(23)15(24)6-10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29)/t11-,16+/m0/s1
InChIKeyUWEOLGYXVVCAOI-MEDUHNTESA-N
MW471.36 g/mol
LogP4.61
Rot. Bonds4

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

5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 155562030) has the molecular formula C20H18Cl2F2N4OS and a molecular weight of 471.36 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide
PubChem CID155562030
Molecular FormulaC20H18Cl2F2N4OS
Molecular Weight471.36 g/mol
Exact Mass470.05
IUPAC Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)sc1Cl
InChIInChI=1S/C20H18Cl2F2N4OS/c1-28-18(13(21)8-26-28)12-7-17(30-19(12)22)20(29)27-16-9-25-5-4-11(16)10-2-3-14(23)15(24)6-10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29)/t11-,16+/m0/s1
InChIKeyUWEOLGYXVVCAOI-MEDUHNTESA-N
XLogP4.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 54.61
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-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide (CID 155562030) is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide is Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)sc1Cl.
What is the InChIKey of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is UWEOLGYXVVCAOI-MEDUHNTESA-N. The full InChI is InChI=1S/C20H18Cl2F2N4OS/c1-28-18(13(21)8-26-28)12-7-17(30-19(12)22)20(29)27-16-9-25-5-4-11(16)10-2-3-14(23)15(24)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-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide?
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 471.36 g/mol, XLogP of 4.61, 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-difluorophenyl)piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 155562030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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