N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide

C26H24ClN3O4 — CID 163560427

IUPACN-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC12CC(CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C26H24ClN3O4/c27-17-6-7-22-19(8-17)20(31)9-23(34-22)21(32)10-25-13-26(14-25,15-25)29-24(33)16-11-28-30(12-16)18-4-2-1-3-5-18/h1-8,11-12,20,23,31H,9-10,13-15H2,(H,29,33)/t20-,23-,25?,26?/m1/s1
InChIKeyKRCAHJYOGQQKGS-FGILPPGUSA-N
MW477.95 g/mol
LogP4.02
Rot. Bonds6

About N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide

N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 163560427) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide
PubChem CID163560427
Molecular FormulaC26H24ClN3O4
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC NameN-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC12CC(CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C26H24ClN3O4/c27-17-6-7-22-19(8-17)20(31)9-23(34-22)21(32)10-25-13-26(14-25,15-25)29-24(33)16-11-28-30(12-16)18-4-2-1-3-5-18/h1-8,11-12,20,23,31H,9-10,13-15H2,(H,29,33)/t20-,23-,25?,26?/m1/s1
InChIKeyKRCAHJYOGQQKGS-FGILPPGUSA-N
XLogP4.02
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-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

N-[3-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide
CID 174169710
1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-chlorophenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone
CID 162258906
1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
CID 157389484
N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[2-(trifluoromethyl)pyrimidin-5-yl]oxyacetamide
CID 163498601
2-[3-[1-(4-chloro-3-fluorophenyl)triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]ethanone
CID 159172548
(2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254587
1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone
CID 158357253
N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide
CID 27650301
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[(2R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 163418805
(2S,4S)-6-chloro-4-hydroxy-N-[3-[4-(2-methoxypyrimidin-5-yl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 163279476
(2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[(2R)-1-(trifluoromethoxy)propan-2-yl]oxypyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 163279480
(2S,4R)-6-chloro-N-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254619

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide (CID 163560427) is N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide is O=C(NC12CC(CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is KRCAHJYOGQQKGS-FGILPPGUSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c27-17-6-7-22-19(8-17)20(31)9-23(34-22)21(32)10-25-13-26(14-25,15-25)29-24(33)16-11-28-30(12-16)18-4-2-1-3-5-18/h1-8,11-12,20,23,31H,9-10,13-15H2,(H,29,33)/t20-,23-,25?,26?/m1/s1.
What are the key properties of N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide?
N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 163560427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).