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

C20H19ClF2N4O2 — CID 155545670

IUPAC4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1coc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H19ClF2N4O2/c1-27-19(14(21)8-25-27)12-7-18(29-10-12)20(28)26-17-9-24-5-4-13(17)11-2-3-15(22)16(23)6-11/h2-3,6-8,10,13,17,24H,4-5,9H2,1H3,(H,26,28)/t13-,17+/m0/s1
InChIKeyXHJRBDCMLYCIII-SUMWQHHRSA-N
MW420.85 g/mol
LogP3.49
Rot. Bonds4

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

4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide (PubChem CID 155545670) has the molecular formula C20H19ClF2N4O2 and a molecular weight of 420.85 g/mol. Its IUPAC name is 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide
PubChem CID155545670
Molecular FormulaC20H19ClF2N4O2
Molecular Weight420.85 g/mol
Exact Mass420.12
IUPAC Name4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1coc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H19ClF2N4O2/c1-27-19(14(21)8-25-27)12-7-18(29-10-12)20(28)26-17-9-24-5-4-13(17)11-2-3-15(22)16(23)6-11/h2-3,6-8,10,13,17,24H,4-5,9H2,1H3,(H,26,28)/t13-,17+/m0/s1
InChIKeyXHJRBDCMLYCIII-SUMWQHHRSA-N
XLogP3.49
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide?
The IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide (CID 155545670) is 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide is Cn1ncc(Cl)c1-c1coc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c1.
What is the InChIKey of 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide?
The InChIKey is XHJRBDCMLYCIII-SUMWQHHRSA-N. The full InChI is InChI=1S/C20H19ClF2N4O2/c1-27-19(14(21)8-25-27)12-7-18(29-10-12)20(28)26-17-9-24-5-4-13(17)11-2-3-15(22)16(23)6-11/h2-3,6-8,10,13,17,24H,4-5,9H2,1H3,(H,26,28)/t13-,17+/m0/s1.
What are the key properties of 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide?
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide has a molecular weight of 420.85 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 155545670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).