(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

C24H28ClN5O2S — CID 162502683

IUPAC(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
SMILESO=S1(=O)CC[C@@H](N2CCC(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)C1
InChIInChI=1S/C24H28ClN5O2S/c25-22-7-18-12-27-30(20-13-26-29(14-20)24-9-16(10-24)11-24)23(18)8-21(22)17-1-4-28(5-2-17)19-3-6-33(31,32)15-19/h7-8,12-14,16-17,19H,1-6,9-11,15H2/t16?,19-,24?/m1/s1
InChIKeyOQUARHMLGNMJAP-HTQWRTEZSA-N
MW486.04 g/mol
LogP3.75
Rot. Bonds4

About (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

(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 (PubChem CID 162502683) has the molecular formula C24H28ClN5O2S and a molecular weight of 486.04 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID162502683
Molecular FormulaC24H28ClN5O2S
Molecular Weight486.04 g/mol
Exact Mass485.17
IUPAC Name(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
SMILESO=S1(=O)CC[C@@H](N2CCC(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)C1
InChIInChI=1S/C24H28ClN5O2S/c25-22-7-18-12-27-30(20-13-26-29(14-20)24-9-16(10-24)11-24)23(18)8-21(22)17-1-4-28(5-2-17)19-3-6-33(31,32)15-19/h7-8,12-14,16-17,19H,1-6,9-11,15H2/t16?,19-,24?/m1/s1
InChIKeyOQUARHMLGNMJAP-HTQWRTEZSA-N
XLogP3.75
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.04
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole
CID 162502647
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
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
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
(1S,5R)-3-[1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloropyrazolo[3,4-b]pyridin-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
CID 175767661
(1S,4S)-5-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 153284237
(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
4,5-dichloro-2-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]pyridazin-3-one
CID 22829830
3-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 133431793
5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-(4-pyrazin-2-ylpiperidin-1-yl)indazole
CID 155381288
(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
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=S1(=O)CC[C@@H](N2CCC(c3cc4c(cnn4-c4cnn(C56CC(C5)C6)c4)cc3Cl)CC2)C1.
What is the InChIKey of (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?
The InChIKey is OQUARHMLGNMJAP-HTQWRTEZSA-N. The full InChI is InChI=1S/C24H28ClN5O2S/c25-22-7-18-12-27-30(20-13-26-29(14-20)24-9-16(10-24)11-24)23(18)8-21(22)17-1-4-28(5-2-17)19-3-6-33(31,32)15-19/h7-8,12-14,16-17,19H,1-6,9-11,15H2/t16?,19-,24?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 486.04 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 162502683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).