2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

C23H25F2N7OS — CID 19503679

IUPAC2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCN(Cc3cccs3)CC2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12
InChIInChI=1S/C23H25F2N7OS/c1-15-21-18(22(24)25)10-19(16-11-26-29(2)12-16)27-23(21)32(28-15)14-20(33)31-7-5-30(6-8-31)13-17-4-3-9-34-17/h3-4,9-12,22H,5-8,13-14H2,1-2H3
InChIKeyONCTVPUOHNGXOA-UHFFFAOYSA-N
MW485.56 g/mol
LogP3.48
Rot. Bonds6

About 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 19503679) has the molecular formula C23H25F2N7OS and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID19503679
Molecular FormulaC23H25F2N7OS
Molecular Weight485.56 g/mol
Exact Mass485.18
IUPAC Name2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCN(Cc3cccs3)CC2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12
InChIInChI=1S/C23H25F2N7OS/c1-15-21-18(22(24)25)10-19(16-11-26-29(2)12-16)27-23(21)32(28-15)14-20(33)31-7-5-30(6-8-31)13-17-4-3-9-34-17/h3-4,9-12,22H,5-8,13-14H2,1-2H3
InChIKeyONCTVPUOHNGXOA-UHFFFAOYSA-N
XLogP3.48
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
1-[3-(4-Methylpiperazin-1-yl)propyl]-4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-1,2-dihydropyridin-2-one
CID 5329471
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
US10100058, Example 275
CID 134539929
4-[4-[(3-Methyl-2-thienyl)-(o-tolyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011487
4-[4-[(3-Methyl-2-thienyl)-(2-pyridyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011489
5-(5-ethyl-2-thienyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000253
(4-Benzyl-piperazin-1-yl)-(5-thiophen-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl)-methanone
CID 1040117

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (CID 19503679) is 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is Cc1nn(CC(=O)N2CCN(Cc3cccs3)CC2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12.
What is the InChIKey of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is ONCTVPUOHNGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7OS/c1-15-21-18(22(24)25)10-19(16-11-26-29(2)12-16)27-23(21)32(28-15)14-20(33)31-7-5-30(6-8-31)13-17-4-3-9-34-17/h3-4,9-12,22H,5-8,13-14H2,1-2H3.
What are the key properties of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 485.56 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 19503679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).