1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one

C27H32ClN5O2 — CID 163857450

IUPAC1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one
SMILESCCC(=O)C12CC(n3cc(-n4ncc5cc(Cl)c(C6CCN(C7(C)COC7)CC6)cc54)cn3)(C1)C2
InChIInChI=1S/C27H32ClN5O2/c1-3-24(34)26-13-27(14-26,15-26)32-12-20(11-29-32)33-23-9-21(22(28)8-19(23)10-30-33)18-4-6-31(7-5-18)25(2)16-35-17-25/h8-12,18H,3-7,13-17H2,1-2H3
InChIKeyOZNOJTNXWJHWHC-UHFFFAOYSA-N
MW494.04 g/mol
LogP4.70
Rot. Bonds6

About 1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one

1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one (PubChem CID 163857450) has the molecular formula C27H32ClN5O2 and a molecular weight of 494.04 g/mol. Its IUPAC name is 1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one
PubChem CID163857450
Molecular FormulaC27H32ClN5O2
Molecular Weight494.04 g/mol
Exact Mass493.22
IUPAC Name1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one
SMILESCCC(=O)C12CC(n3cc(-n4ncc5cc(Cl)c(C6CCN(C7(C)COC7)CC6)cc54)cn3)(C1)C2
InChIInChI=1S/C27H32ClN5O2/c1-3-24(34)26-13-27(14-26,15-26)32-12-20(11-29-32)33-23-9-21(22(28)8-19(23)10-30-33)18-4-6-31(7-5-18)25(2)16-35-17-25/h8-12,18H,3-7,13-17H2,1-2H3
InChIKeyOZNOJTNXWJHWHC-UHFFFAOYSA-N
XLogP4.70
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one 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

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
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
(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)-3-[4-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloroindazol-6-yl]piperidin-1-yl]thiolane 1,1-dioxide
CID 162502683
(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
[4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 153301781
5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole
CID 162502647
(1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol
CID 155381689
5-chloro-1-[1-[2-[1-(difluoromethyl)cyclobutyl]ethyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
CID 155381668
(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
5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(2,2,4,4-tetradeuterio-3-methyloxetan-3-yl)piperazin-1-yl]indazole
CID 164848101

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one?
The IUPAC name of 1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one (CID 163857450) is 1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one.
What is the SMILES notation for 1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one?
The canonical SMILES for 1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one is CCC(=O)C12CC(n3cc(-n4ncc5cc(Cl)c(C6CCN(C7(C)COC7)CC6)cc54)cn3)(C1)C2.
What is the InChIKey of 1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one?
The InChIKey is OZNOJTNXWJHWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O2/c1-3-24(34)26-13-27(14-26,15-26)32-12-20(11-29-32)33-23-9-21(22(28)8-19(23)10-30-33)18-4-6-31(7-5-18)25(2)16-35-17-25/h8-12,18H,3-7,13-17H2,1-2H3.
What are the key properties of 1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one?
1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one has a molecular weight of 494.04 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]propan-1-one is sourced from PubChem (CID 163857450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).