2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol

C17H17ClFN5O3S — CID 163234422

IUPAC2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol
SMILESCS(=O)(=O)N1CCN(c2cc3cn(-c4cc(O)c(Cl)c(F)c4)nc3cn2)CC1
InChIInChI=1S/C17H17ClFN5O3S/c1-28(26,27)23-4-2-22(3-5-23)16-6-11-10-24(21-14(11)9-20-16)12-7-13(19)17(18)15(25)8-12/h6-10,25H,2-5H2,1H3
InChIKeyKHRKHBLPSMSZRD-UHFFFAOYSA-N
MW425.87 g/mol
LogP2.00
Rot. Bonds3

About 2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol

2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol (PubChem CID 163234422) has the molecular formula C17H17ClFN5O3S and a molecular weight of 425.87 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol
PubChem CID163234422
Molecular FormulaC17H17ClFN5O3S
Molecular Weight425.87 g/mol
Exact Mass425.07
IUPAC Name2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol
SMILESCS(=O)(=O)N1CCN(c2cc3cn(-c4cc(O)c(Cl)c(F)c4)nc3cn2)CC1
InChIInChI=1S/C17H17ClFN5O3S/c1-28(26,27)23-4-2-22(3-5-23)16-6-11-10-24(21-14(11)9-20-16)12-7-13(19)17(18)15(25)8-12/h6-10,25H,2-5H2,1H3
InChIKeyKHRKHBLPSMSZRD-UHFFFAOYSA-N
XLogP2.00
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol
CID 163234389
5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol
CID 163233870
5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine
CID 170685662
5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol
CID 163234247
5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol
CID 163233481
2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidin-1-yl]-3-(trifluoromethyl)phenol
CID 163233885
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 80546991
4-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 156866041
4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 56922206
2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol
CID 163234114
1-chloro-3-(4-methylsulfonylpiperazin-1-yl)isoquinoline
CID 30756626
1-(4-fluoro-3-hydroxyphenyl)-5-(4-methylsulfonylpiperazin-1-yl)indole-2-carboxylic acid
CID 170685667

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol?
The IUPAC name of 2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol (CID 163234422) is 2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol.
What is the SMILES notation for 2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol?
The canonical SMILES for 2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol is CS(=O)(=O)N1CCN(c2cc3cn(-c4cc(O)c(Cl)c(F)c4)nc3cn2)CC1.
What is the InChIKey of 2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol?
The InChIKey is KHRKHBLPSMSZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O3S/c1-28(26,27)23-4-2-22(3-5-23)16-6-11-10-24(21-14(11)9-20-16)12-7-13(19)17(18)15(25)8-12/h6-10,25H,2-5H2,1H3.
What are the key properties of 2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol?
2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol has a molecular weight of 425.87 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol is sourced from PubChem (CID 163234422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).