(3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol

C25H31ClN6O3 — CID 164848091

IUPAC(3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
SMILESCOC12CC(n3cc(-n4ncc5cc(Cl)c(N6CCN([C@@]7(C)COC[C@H]7O)CC6)cc54)cn3)(C1)C2
InChIInChI=1S/C25H31ClN6O3/c1-23(16-35-12-22(23)33)30-5-3-29(4-6-30)21-8-20-17(7-19(21)26)9-28-32(20)18-10-27-31(11-18)24-13-25(14-24,15-24)34-2/h7-11,22,33H,3-6,12-16H2,1-2H3/t22-,23+,24?,25?/m1/s1
InChIKeyZTRRYKOEWAISOU-ZFNFACSDSA-N
MW499.02 g/mol
LogP2.43
Rot. Bonds5

About (3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol

(3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol (PubChem CID 164848091) has the molecular formula C25H31ClN6O3 and a molecular weight of 499.02 g/mol. Its IUPAC name is (3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
PubChem CID164848091
Molecular FormulaC25H31ClN6O3
Molecular Weight499.02 g/mol
Exact Mass498.21
IUPAC Name(3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
SMILESCOC12CC(n3cc(-n4ncc5cc(Cl)c(N6CCN([C@@]7(C)COC[C@H]7O)CC6)cc54)cn3)(C1)C2
InChIInChI=1S/C25H31ClN6O3/c1-23(16-35-12-22(23)33)30-5-3-29(4-6-30)21-8-20-17(7-19(21)26)9-28-32(20)18-10-27-31(11-18)24-13-25(14-24,15-24)34-2/h7-11,22,33H,3-6,12-16H2,1-2H3/t22-,23+,24?,25?/m1/s1
InChIKeyZTRRYKOEWAISOU-ZFNFACSDSA-N
XLogP2.43
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.02
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol 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

(3R,4R)-4-[4-[5-chloro-1-[1-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 155381350
(3R,4R)-4-[4-[5-chloro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 155381597
(3S,4R)-4-[4-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloroindazol-6-yl]piperazin-1-yl]-3,4-dimethyloxolan-3-ol;(3R,4R)-4-[4-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloroindazol-6-yl]piperazin-1-yl]-3,4-dimethyloxolan-3-ol;(3R,4R)-4-[4-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloroindazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol;(4R)-4-[4-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloroindazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-one
CID 167644088
(3R,4S)-4-[(2R)-4-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloroindazol-6-yl]-2-methylpiperazin-1-yl]-4-methyloxolan-3-ol
CID 155381339
methyl 4-[4-[5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazol-1-yl]pyrazol-1-yl]bicyclo[2.1.1]hexane-1-carboxylate
CID 155368979
[4-[4-[5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[2.2.2]octanyl]methanol
CID 155381321
1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-[(3R,4R)-4-methoxyoxolan-3-yl]piperazin-1-yl]indazole
CID 162664098
1-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloroindazol-6-yl]-4-(oxolan-3-yl)piperidin-4-ol
CID 155381688
3-[4-[5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazol-1-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid
CID 155368983
N-[7-chloro-6-[4-(4-hydroxy-3-methyloxolan-3-yl)piperazin-1-yl]isoquinolin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 163277811
5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(2,2,4,4-tetradeuterio-3-methyloxetan-3-yl)piperazin-1-yl]indazole
CID 164848101
5-chloro-1-[1-[2-[1-(difluoromethyl)cyclobutyl]ethyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
CID 155381668

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol?
The IUPAC name of (3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol (CID 164848091) is (3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol.
What is the SMILES notation for (3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol?
The canonical SMILES for (3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol is COC12CC(n3cc(-n4ncc5cc(Cl)c(N6CCN([C@@]7(C)COC[C@H]7O)CC6)cc54)cn3)(C1)C2.
What is the InChIKey of (3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol?
The InChIKey is ZTRRYKOEWAISOU-ZFNFACSDSA-N. The full InChI is InChI=1S/C25H31ClN6O3/c1-23(16-35-12-22(23)33)30-5-3-29(4-6-30)21-8-20-17(7-19(21)26)9-28-32(20)18-10-27-31(11-18)24-13-25(14-24,15-24)34-2/h7-11,22,33H,3-6,12-16H2,1-2H3/t22-,23+,24?,25?/m1/s1.
What are the key properties of (3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol?
(3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol has a molecular weight of 499.02 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[4-[5-chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol is sourced from PubChem (CID 164848091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).