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

C24H27ClF2N6O — CID 155381336

IUPAC5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
SMILESCC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C(F)F)(C5)C6)c4)cc3Cl)CC2)COC1
InChIInChI=1S/C24H27ClF2N6O/c1-22(14-34-15-22)31-4-2-30(3-5-31)20-7-19-16(6-18(20)25)8-29-33(19)17-9-28-32(10-17)24-11-23(12-24,13-24)21(26)27/h6-10,21H,2-5,11-15H2,1H3
InChIKeyGKWGAEABTCYHNM-UHFFFAOYSA-N
MW488.97 g/mol
LogP3.93
Rot. Bonds5

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

5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole (PubChem CID 155381336) has the molecular formula C24H27ClF2N6O and a molecular weight of 488.97 g/mol. Its IUPAC name is 5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole.

Molecular Properties

Compound Name5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
PubChem CID155381336
Molecular FormulaC24H27ClF2N6O
Molecular Weight488.97 g/mol
Exact Mass488.19
IUPAC Name5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
SMILESCC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C(F)F)(C5)C6)c4)cc3Cl)CC2)COC1
InChIInChI=1S/C24H27ClF2N6O/c1-22(14-34-15-22)31-4-2-30(3-5-31)20-7-19-16(6-18(20)25)8-29-33(19)17-9-28-32(10-17)24-11-23(12-24,13-24)21(26)27/h6-10,21H,2-5,11-15H2,1H3
InChIKeyGKWGAEABTCYHNM-UHFFFAOYSA-N
XLogP3.93
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.97
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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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
(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
US12030872, Example 7.5
CID 153575295

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole?
The IUPAC name of 5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole (CID 155381336) is 5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole.
What is the SMILES notation for 5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole?
The canonical SMILES for 5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole is CC1(N2CCN(c3cc4c(cnn4-c4cnn(C56CC(C(F)F)(C5)C6)c4)cc3Cl)CC2)COC1.
What is the InChIKey of 5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole?
The InChIKey is GKWGAEABTCYHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF2N6O/c1-22(14-34-15-22)31-4-2-30(3-5-31)20-7-19-16(6-18(20)25)8-29-33(19)17-9-28-32(10-17)24-11-23(12-24,13-24)21(26)27/h6-10,21H,2-5,11-15H2,1H3.
What are the key properties of 5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole?
5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole has a molecular weight of 488.97 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole is sourced from PubChem (CID 155381336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).