(2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide

C23H29ClN4O6 — CID 91181434

IUPAC(2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide
SMILESCOc1cccc(Oc2cc(O)n([C@@H](CC(C)C)C(=O)Nc3ccn(C[C@@H](O)CO)n3)c2)c1Cl
InChIInChI=1S/C23H29ClN4O6/c1-14(2)9-17(23(32)25-20-7-8-27(26-20)11-15(30)13-29)28-12-16(10-21(28)31)34-19-6-4-5-18(33-3)22(19)24/h4-8,10,12,14-15,17,29-31H,9,11,13H2,1-3H3,(H,25,26,32)/t15-,17+/m1/s1
InChIKeySCDWKFPYLPUBOT-WBVHZDCISA-N
MW492.96 g/mol
LogP3.42
Rot. Bonds11

About (2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide

(2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide (PubChem CID 91181434) has the molecular formula C23H29ClN4O6 and a molecular weight of 492.96 g/mol. Its IUPAC name is (2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide
PubChem CID91181434
Molecular FormulaC23H29ClN4O6
Molecular Weight492.96 g/mol
Exact Mass492.18
IUPAC Name(2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide
SMILESCOc1cccc(Oc2cc(O)n([C@@H](CC(C)C)C(=O)Nc3ccn(C[C@@H](O)CO)n3)c2)c1Cl
InChIInChI=1S/C23H29ClN4O6/c1-14(2)9-17(23(32)25-20-7-8-27(26-20)11-15(30)13-29)28-12-16(10-21(28)31)34-19-6-4-5-18(33-3)22(19)24/h4-8,10,12,14-15,17,29-31H,9,11,13H2,1-3H3,(H,25,26,32)/t15-,17+/m1/s1
InChIKeySCDWKFPYLPUBOT-WBVHZDCISA-N
XLogP3.42
TPSA131.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.96
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide 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 (2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide (CID 91181434) is (2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide is COc1cccc(Oc2cc(O)n([C@@H](CC(C)C)C(=O)Nc3ccn(C[C@@H](O)CO)n3)c2)c1Cl.
What is the InChIKey of (2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide?
The InChIKey is SCDWKFPYLPUBOT-WBVHZDCISA-N. The full InChI is InChI=1S/C23H29ClN4O6/c1-14(2)9-17(23(32)25-20-7-8-27(26-20)11-15(30)13-29)28-12-16(10-21(28)31)34-19-6-4-5-18(33-3)22(19)24/h4-8,10,12,14-15,17,29-31H,9,11,13H2,1-3H3,(H,25,26,32)/t15-,17+/m1/s1.
What are the key properties of (2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide?
(2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide has a molecular weight of 492.96 g/mol, XLogP of 3.42, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-chloro-3-methoxyphenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide is sourced from PubChem (CID 91181434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).