1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole

C23H27ClN6O — CID 155381337

IUPAC1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
SMILESCC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC1
InChIInChI=1S/C23H27ClN6O/c1-22(14-31-15-22)28-4-2-27(3-5-28)21-7-20-17(6-19(21)24)11-26-30(20)18-12-25-29(13-18)23-8-16(9-23)10-23/h6-7,11-13,16H,2-5,8-10,14-15H2,1H3
InChIKeyPKCLLMDFVUEORQ-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.30
Rot. Bonds4

About 1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole

1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole (PubChem CID 155381337) has the molecular formula C23H27ClN6O and a molecular weight of 438.96 g/mol. Its IUPAC name is 1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole.

Molecular Properties

Compound Name1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
PubChem CID155381337
Molecular FormulaC23H27ClN6O
Molecular Weight438.96 g/mol
Exact Mass438.19
IUPAC Name1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
SMILESCC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC1
InChIInChI=1S/C23H27ClN6O/c1-22(14-31-15-22)28-4-2-27(3-5-28)21-7-20-17(6-19(21)24)11-26-30(20)18-12-25-29(13-18)23-8-16(9-23)10-23/h6-7,11-13,16H,2-5,8-10,14-15H2,1H3
InChIKeyPKCLLMDFVUEORQ-UHFFFAOYSA-N
XLogP3.30
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[5-Chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrazol-1-yl]bicyclo[1.1.1]pentane-1-carbonitrile
CID 153575191
5-Chloro-1-(1-cyclobutylpyrazol-4-yl)-6-[1-(oxetan-3-yl)piperidin-4-yl]indazole
CID 153575238
5-Chloro-1-(1-ethylpyrazol-4-yl)-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole
CID 153575266
1-[1-(1-Bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazole
CID 153575309
5-Chloro-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole
CID 162502630
(3R,4R)-4-[4-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 155381331
cis-(1R,2R)-2-[4-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloroindazol-6-yl]piperazin-1-yl]-2-methylcyclobutan-1-ol
CID 155381661
US12319671, Example 12.5
CID 162663387
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
5-Chloro-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]-1-(1-methylpyrazol-4-yl)indazole
CID 153575163
US12030872, Example 7.3
CID 153575175
5-Chloro-1-(1-methylpyrazol-4-yl)-6-[1-(oxetan-3-yl)piperidin-4-yl]indazole
CID 153575201

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole?
The IUPAC name of 1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole (CID 155381337) is 1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole.
What is the SMILES notation for 1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole?
The canonical SMILES for 1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole is CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)COC1.
What is the InChIKey of 1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole?
The InChIKey is PKCLLMDFVUEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O/c1-22(14-31-15-22)28-4-2-27(3-5-28)21-7-20-17(6-19(21)24)11-26-30(20)18-12-25-29(13-18)23-8-16(9-23)10-23/h6-7,11-13,16H,2-5,8-10,14-15H2,1H3.
What are the key properties of 1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole?
1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole has a molecular weight of 438.96 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole is sourced from PubChem (CID 155381337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).