6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

C14H18F3N5 — CID 25248606

IUPAC6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCCCn1cc2c(C(F)(F)F)cc(N3CCNCC3)nc2n1
InChIInChI=1S/C14H18F3N5/c1-2-5-22-9-10-11(14(15,16)17)8-12(19-13(10)20-22)21-6-3-18-4-7-21/h8-9,18H,2-7H2,1H3
InChIKeyONNBONMUNQLUOS-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.27
Rot. Bonds3

About 6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (PubChem CID 25248606) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
PubChem CID25248606
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCCCn1cc2c(C(F)(F)F)cc(N3CCNCC3)nc2n1
InChIInChI=1S/C14H18F3N5/c1-2-5-22-9-10-11(14(15,16)17)8-12(19-13(10)20-22)21-6-3-18-4-7-21/h8-9,18H,2-7H2,1H3
InChIKeyONNBONMUNQLUOS-UHFFFAOYSA-N
XLogP2.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-piperazin-1-yl-2-propylpyrazolo[3,4-b]pyridine
CID 25248611
6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 25248608
1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 11725490
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine
CID 22418791
4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline
CID 121236577
1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine
CID 177040771
1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine
CID 162549104
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-yl-2-propylindazole-7-carboxamide
CID 167500977
N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
CID 83726827
2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine
CID 25248612
ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate
CID 10572385

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (CID 25248606) is 6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is CCCn1cc2c(C(F)(F)F)cc(N3CCNCC3)nc2n1.
What is the InChIKey of 6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is ONNBONMUNQLUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c1-2-5-22-9-10-11(14(15,16)17)8-12(19-13(10)20-22)21-6-3-18-4-7-21/h8-9,18H,2-7H2,1H3.
What are the key properties of 6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 313.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 25248606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).