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

C25H27Cl4N5O5 — CID 126505367

IUPAC5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNC(CC(=O)NCC(O)CO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl
InChIInChI=1S/C25H27Cl4N5O5/c1-34-23(19(28)9-32-34)16-7-21(39-24(16)29)25(38)33-20-10-30-13(6-22(37)31-8-14(36)11-35)5-15(20)12-2-3-17(26)18(27)4-12/h2-4,7,9,13-15,20,30,35-36H,5-6,8,10-11H2,1H3,(H,31,37)(H,33,38)/t13?,14?,15-,20+/m0/s1
InChIKeyIOWSTFAYUKKZSF-QWYLWLKDSA-N
MW619.33 g/mol
LogP3.40
Rot. Bonds9

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

5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide (PubChem CID 126505367) has the molecular formula C25H27Cl4N5O5 and a molecular weight of 619.33 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]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)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide
PubChem CID126505367
Molecular FormulaC25H27Cl4N5O5
Molecular Weight619.33 g/mol
Exact Mass617.08
IUPAC Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNC(CC(=O)NCC(O)CO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl
InChIInChI=1S/C25H27Cl4N5O5/c1-34-23(19(28)9-32-34)16-7-21(39-24(16)29)25(38)33-20-10-30-13(6-22(37)31-8-14(36)11-35)5-15(20)12-2-3-17(26)18(27)4-12/h2-4,7,9,13-15,20,30,35-36H,5-6,8,10-11H2,1H3,(H,31,37)(H,33,38)/t13?,14?,15-,20+/m0/s1
InChIKeyIOWSTFAYUKKZSF-QWYLWLKDSA-N
XLogP3.40
TPSA141.65 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.33
LogP ≤ 53.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]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

Related Compounds

Uprosertib
CID 51042438
Akt-IN-3
CID 138911338
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
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
CID 155525783
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
CID 126504238
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 57826757
4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide
CID 127049218
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

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)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]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)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide (CID 126505367) is 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]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)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]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)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide is Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CNC(CC(=O)NCC(O)CO)C[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)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide?
The InChIKey is IOWSTFAYUKKZSF-QWYLWLKDSA-N. The full InChI is InChI=1S/C25H27Cl4N5O5/c1-34-23(19(28)9-32-34)16-7-21(39-24(16)29)25(38)33-20-10-30-13(6-22(37)31-8-14(36)11-35)5-15(20)12-2-3-17(26)18(27)4-12/h2-4,7,9,13-15,20,30,35-36H,5-6,8,10-11H2,1H3,(H,31,37)(H,33,38)/t13?,14?,15-,20+/m0/s1.
What are the key properties of 5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide?
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide has a molecular weight of 619.33 g/mol, XLogP of 3.40, 9 rotatable bonds, 5 hydrogen bond donors, and 8 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)-6-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 126505367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).