5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide

C22H22Cl2F2N4O3 — CID 155077019

IUPAC5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](CCO)C[C@H]2c2ccc(F)c(F)c2)oc1Cl
InChIInChI=1S/C22H22Cl2F2N4O3/c1-30-20(15(23)9-28-30)14-8-19(33-21(14)24)22(32)29-18-10-27-12(4-5-31)7-13(18)11-2-3-16(25)17(26)6-11/h2-3,6,8-9,12-13,18,27,31H,4-5,7,10H2,1H3,(H,29,32)/t12-,13+,18-/m1/s1
InChIKeyCXSQMXRQOZZFLD-FHSNZYRGSA-N
MW499.35 g/mol
LogP3.89
Rot. Bonds6

About 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide

5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide (PubChem CID 155077019) has the molecular formula C22H22Cl2F2N4O3 and a molecular weight of 499.35 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide
PubChem CID155077019
Molecular FormulaC22H22Cl2F2N4O3
Molecular Weight499.35 g/mol
Exact Mass498.10
IUPAC Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](CCO)C[C@H]2c2ccc(F)c(F)c2)oc1Cl
InChIInChI=1S/C22H22Cl2F2N4O3/c1-30-20(15(23)9-28-30)14-8-19(33-21(14)24)22(32)29-18-10-27-12(4-5-31)7-13(18)11-2-3-16(25)17(26)6-11/h2-3,6,8-9,12-13,18,27,31H,4-5,7,10H2,1H3,(H,29,32)/t12-,13+,18-/m1/s1
InChIKeyCXSQMXRQOZZFLD-FHSNZYRGSA-N
XLogP3.89
TPSA92.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.35
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide with MolForge

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Related Compounds

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5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]furan-2-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
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N-(1-Amino-3-(3,4-difluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide
CID 75605138
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide
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N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carboxamide
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4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide
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4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide
CID 127049827
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide
CID 127052920
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide
CID 127052921
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3R,4R)-4-[4-(trifluoromethyl)phenyl]piperidin-3-yl]furan-2-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 155511115
N-[(3S,4S,6S)-6-(2-amino-2-oxoethyl)-4-(3,4-dichlorophenyl)piperidin-3-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 155513578

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide (CID 155077019) is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide is Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](CCO)C[C@H]2c2ccc(F)c(F)c2)oc1Cl.
What is the InChIKey of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide?
The InChIKey is CXSQMXRQOZZFLD-FHSNZYRGSA-N. The full InChI is InChI=1S/C22H22Cl2F2N4O3/c1-30-20(15(23)9-28-30)14-8-19(33-21(14)24)22(32)29-18-10-27-12(4-5-31)7-13(18)11-2-3-16(25)17(26)6-11/h2-3,6,8-9,12-13,18,27,31H,4-5,7,10H2,1H3,(H,29,32)/t12-,13+,18-/m1/s1.
What are the key properties of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide?
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide has a molecular weight of 499.35 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 155077019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).