3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine

C19H24F2N6O3S — CID 139566297

IUPAC3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(C3=CC=NC(N4CCN(S(=O)(=O)C(F)F)CC4)C3)n[nH]c2cn1
InChIInChI=1S/C19H24F2N6O3S/c1-12(2)30-17-10-14-15(11-23-17)24-25-18(14)13-3-4-22-16(9-13)26-5-7-27(8-6-26)31(28,29)19(20)21/h3-4,10-12,16,19H,5-9H2,1-2H3,(H,24,25)
InChIKeyOIAIGRDQRQQPOJ-UHFFFAOYSA-N
MW454.50 g/mol
LogP2.10
Rot. Bonds6

About 3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine

3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine (PubChem CID 139566297) has the molecular formula C19H24F2N6O3S and a molecular weight of 454.50 g/mol. Its IUPAC name is 3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
PubChem CID139566297
Molecular FormulaC19H24F2N6O3S
Molecular Weight454.50 g/mol
Exact Mass454.16
IUPAC Name3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(C3=CC=NC(N4CCN(S(=O)(=O)C(F)F)CC4)C3)n[nH]c2cn1
InChIInChI=1S/C19H24F2N6O3S/c1-12(2)30-17-10-14-15(11-23-17)24-25-18(14)13-3-4-22-16(9-13)26-5-7-27(8-6-26)31(28,29)19(20)21/h3-4,10-12,16,19H,5-9H2,1-2H3,(H,24,25)
InChIKeyOIAIGRDQRQQPOJ-UHFFFAOYSA-N
XLogP2.10
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 123709728
5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 121476670
3-[2-[4-(difluoromethylsulfanyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 139566298
3-[2-(4-methylsulfinylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
CID 139566249
2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine
CID 123967588
(6S)-2-iodo-6-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine
CID 144795289
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
3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-indazole
CID 90398390
3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 90400858
5-methyl-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-2-one
CID 90400847
3-[2-oxo-3-propan-2-yl-5-[4-[4-[[4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]benzimidazol-1-yl]piperidine-2,6-dione
CID 176963232
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 118657118

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine (CID 139566297) is 3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine is CC(C)Oc1cc2c(C3=CC=NC(N4CCN(S(=O)(=O)C(F)F)CC4)C3)n[nH]c2cn1.
What is the InChIKey of 3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is OIAIGRDQRQQPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N6O3S/c1-12(2)30-17-10-14-15(11-23-17)24-25-18(14)13-3-4-22-16(9-13)26-5-7-27(8-6-26)31(28,29)19(20)21/h3-4,10-12,16,19H,5-9H2,1-2H3,(H,24,25).
What are the key properties of 3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 454.50 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-2,3-dihydropyridin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 139566297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).