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

C23H25Cl2F2N5O4S — CID 155515141

IUPAC5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-[2-(methanesulfonamido)ethyl]piperidin-3-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](CCNS(C)(=O)=O)C[C@H]2c2ccc(F)c(F)c2)oc1Cl
InChIInChI=1S/C23H25Cl2F2N5O4S/c1-32-21(16(24)10-29-32)15-9-20(36-22(15)25)23(33)31-19-11-28-13(5-6-30-37(2,34)35)8-14(19)12-3-4-17(26)18(27)7-12/h3-4,7,9-10,13-14,19,28,30H,5-6,8,11H2,1-2H3,(H,31,33)/t13-,14+,19-/m1/s1
InChIKeyIFEZKPVXFMCRIB-BIENJYKASA-N
MW576.45 g/mol
LogP3.45
Rot. Bonds8

About 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-[2-(methanesulfonamido)ethyl]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-(methanesulfonamido)ethyl]piperidin-3-yl]furan-2-carboxamide (PubChem CID 155515141) has the molecular formula C23H25Cl2F2N5O4S and a molecular weight of 576.45 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-(methanesulfonamido)ethyl]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-(methanesulfonamido)ethyl]piperidin-3-yl]furan-2-carboxamide
PubChem CID155515141
Molecular FormulaC23H25Cl2F2N5O4S
Molecular Weight576.45 g/mol
Exact Mass575.10
IUPAC Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-[2-(methanesulfonamido)ethyl]piperidin-3-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](CCNS(C)(=O)=O)C[C@H]2c2ccc(F)c(F)c2)oc1Cl
InChIInChI=1S/C23H25Cl2F2N5O4S/c1-32-21(16(24)10-29-32)15-9-20(36-22(15)25)23(33)31-19-11-28-13(5-6-30-37(2,34)35)8-14(19)12-3-4-17(26)18(27)7-12/h3-4,7,9-10,13-14,19,28,30H,5-6,8,11H2,1-2H3,(H,31,33)/t13-,14+,19-/m1/s1
InChIKeyIFEZKPVXFMCRIB-BIENJYKASA-N
XLogP3.45
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.45
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(methanesulfonamido)ethyl]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-(methanesulfonamido)ethyl]piperidin-3-yl]furan-2-carboxamide (CID 155515141) is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-[2-(methanesulfonamido)ethyl]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-(methanesulfonamido)ethyl]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-(methanesulfonamido)ethyl]piperidin-3-yl]furan-2-carboxamide is Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](CCNS(C)(=O)=O)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-(methanesulfonamido)ethyl]piperidin-3-yl]furan-2-carboxamide?
The InChIKey is IFEZKPVXFMCRIB-BIENJYKASA-N. The full InChI is InChI=1S/C23H25Cl2F2N5O4S/c1-32-21(16(24)10-29-32)15-9-20(36-22(15)25)23(33)31-19-11-28-13(5-6-30-37(2,34)35)8-14(19)12-3-4-17(26)18(27)7-12/h3-4,7,9-10,13-14,19,28,30H,5-6,8,11H2,1-2H3,(H,31,33)/t13-,14+,19-/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-(methanesulfonamido)ethyl]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-(methanesulfonamido)ethyl]piperidin-3-yl]furan-2-carboxamide has a molecular weight of 576.45 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 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-(methanesulfonamido)ethyl]piperidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 155515141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).