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

C25H25ClN4O3 — CID 174169710

IUPACN-[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
SMILESO=C(NC12CC(NC[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C25H25ClN4O3/c26-17-6-7-22-20(8-17)21(31)9-19(33-22)11-27-24-13-25(14-24,15-24)29-23(32)16-10-28-30(12-16)18-4-2-1-3-5-18/h1-8,10,12,19,21,27,31H,9,11,13-15H2,(H,29,32)/t19-,21-,24?,25?/m1/s1
InChIKeyWZZSUEWCAANMNH-ORAUJRPJSA-N
MW464.95 g/mol
LogP3.40
Rot. Bonds6

About 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

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 (PubChem CID 174169710) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID174169710
Molecular FormulaC25H25ClN4O3
Molecular Weight464.95 g/mol
Exact Mass464.16
IUPAC NameN-[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
SMILESO=C(NC12CC(NC[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C25H25ClN4O3/c26-17-6-7-22-20(8-17)21(31)9-19(33-22)11-27-24-13-25(14-24,15-24)29-23(32)16-10-28-30(12-16)18-4-2-1-3-5-18/h1-8,10,12,19,21,27,31H,9,11,13-15H2,(H,29,32)/t19-,21-,24?,25?/m1/s1
InChIKeyWZZSUEWCAANMNH-ORAUJRPJSA-N
XLogP3.40
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 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-[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
N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide
CID 27650301
(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
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
N-[3-[3-(4-chloro-3-fluorophenyl)pyrrol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]acetamide
CID 155261977
(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
(2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 163279570
1-(4-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrazole-4-carboxamide
CID 55774788
1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide
CID 55974960
1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
CID 50772918
1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
CID 111661678
(2R,4R)-6-chloro-N-[3-[4-[(3R)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 163279310

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NC12CC(NC[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is WZZSUEWCAANMNH-ORAUJRPJSA-N. The full InChI is InChI=1S/C25H25ClN4O3/c26-17-6-7-22-20(8-17)21(31)9-19(33-22)11-27-24-13-25(14-24,15-24)29-23(32)16-10-28-30(12-16)18-4-2-1-3-5-18/h1-8,10,12,19,21,27,31H,9,11,13-15H2,(H,29,32)/t19-,21-,24?,25?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 464.95 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174169710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).