[4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate

C20H25F3N6O4 — CID 67082132

IUPAC[4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate
SMILESCc1cc(OC(=O)N2CCN(C)CC2)nc2[nH]nc(OC(=O)N3CCC(C(F)(F)F)CC3)c12
InChIInChI=1S/C20H25F3N6O4/c1-12-11-14(32-18(30)29-9-7-27(2)8-10-29)24-16-15(12)17(26-25-16)33-19(31)28-5-3-13(4-6-28)20(21,22)23/h11,13H,3-10H2,1-2H3,(H,24,25,26)
InChIKeyZOAFWPFZAGVQGV-UHFFFAOYSA-N
MW470.45 g/mol
LogP2.79
Rot. Bonds2

About [4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate

[4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate (PubChem CID 67082132) has the molecular formula C20H25F3N6O4 and a molecular weight of 470.45 g/mol. Its IUPAC name is [4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate
PubChem CID67082132
Molecular FormulaC20H25F3N6O4
Molecular Weight470.45 g/mol
Exact Mass470.19
IUPAC Name[4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate
SMILESCc1cc(OC(=O)N2CCN(C)CC2)nc2[nH]nc(OC(=O)N3CCC(C(F)(F)F)CC3)c12
InChIInChI=1S/C20H25F3N6O4/c1-12-11-14(32-18(30)29-9-7-27(2)8-10-29)24-16-15(12)17(26-25-16)33-19(31)28-5-3-13(4-6-28)20(21,22)23/h11,13H,3-10H2,1-2H3,(H,24,25,26)
InChIKeyZOAFWPFZAGVQGV-UHFFFAOYSA-N
XLogP2.79
TPSA103.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate?
The IUPAC name of [4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate (CID 67082132) is [4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for [4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate?
The canonical SMILES for [4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate is Cc1cc(OC(=O)N2CCN(C)CC2)nc2[nH]nc(OC(=O)N3CCC(C(F)(F)F)CC3)c12.
What is the InChIKey of [4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate?
The InChIKey is ZOAFWPFZAGVQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O4/c1-12-11-14(32-18(30)29-9-7-27(2)8-10-29)24-16-15(12)17(26-25-16)33-19(31)28-5-3-13(4-6-28)20(21,22)23/h11,13H,3-10H2,1-2H3,(H,24,25,26).
What are the key properties of [4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate?
[4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate has a molecular weight of 470.45 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 67082132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).