3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine

C19H24N6O2S — CID 139566249

IUPAC3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCN(S(C)=O)CC4)c3)n[nH]c2cn1
InChIInChI=1S/C19H24N6O2S/c1-13(2)27-18-11-15-16(12-21-18)22-23-19(15)14-4-5-20-17(10-14)24-6-8-25(9-7-24)28(3)26/h4-5,10-13H,6-9H2,1-3H3,(H,22,23)
InChIKeyBLJYQUVNYLSVAP-UHFFFAOYSA-N
MW400.51 g/mol
LogP2.22
Rot. Bonds5

About 3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine

3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine (PubChem CID 139566249) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
PubChem CID139566249
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCN(S(C)=O)CC4)c3)n[nH]c2cn1
InChIInChI=1S/C19H24N6O2S/c1-13(2)27-18-11-15-16(12-21-18)22-23-19(15)14-4-5-20-17(10-14)24-6-8-25(9-7-24)28(3)26/h4-5,10-13H,6-9H2,1-3H3,(H,22,23)
InChIKeyBLJYQUVNYLSVAP-UHFFFAOYSA-N
XLogP2.22
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[4-(difluoromethylsulfanyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 139566298
3-[2-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 130279592
5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 121476670
3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 123709728
4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one
CID 90400815
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 118657118
3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 90400858
2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine
CID 123967588
5-methyl-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-2-one
CID 90400847
5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole
CID 90400844
3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole
CID 85472972
5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole
CID 90401021

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine (CID 139566249) is 3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine is CC(C)Oc1cc2c(-c3ccnc(N4CCN(S(C)=O)CC4)c3)n[nH]c2cn1.
What is the InChIKey of 3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is BLJYQUVNYLSVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-13(2)27-18-11-15-16(12-21-18)22-23-19(15)14-4-5-20-17(10-14)24-6-8-25(9-7-24)28(3)26/h4-5,10-13H,6-9H2,1-3H3,(H,22,23).
What are the key properties of 3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 400.51 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 139566249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).