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

C14H18F3N5 — CID 25248608

IUPAC6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCC(C)n1cc2c(C(F)(F)F)cc(N3CCNCC3)nc2n1
InChIInChI=1S/C14H18F3N5/c1-9(2)22-8-10-11(14(15,16)17)7-12(19-13(10)20-22)21-5-3-18-4-6-21/h7-9,18H,3-6H2,1-2H3
InChIKeyHIWIFZKHVMEJQV-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.44
Rot. Bonds2

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

6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (PubChem CID 25248608) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
PubChem CID25248608
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCC(C)n1cc2c(C(F)(F)F)cc(N3CCNCC3)nc2n1
InChIInChI=1S/C14H18F3N5/c1-9(2)22-8-10-11(14(15,16)17)7-12(19-13(10)20-22)21-5-3-18-4-6-21/h7-9,18H,3-6H2,1-2H3
InChIKeyHIWIFZKHVMEJQV-UHFFFAOYSA-N
XLogP2.44
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-piperazin-1-yl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 25248606
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
4-methyl-6-piperazin-1-yl-2-propylpyrazolo[3,4-b]pyridine
CID 25248611
2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine
CID 25248612
1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine
CID 162549104
2-(5-chloro-2-methylsulfanylanilino)-6-piperazin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171788171
1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 11725490
1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine
CID 66022281
6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 91475339
1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine
CID 115051073
4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline
CID 171686339
2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 82096911

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (CID 25248608) is 6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is CC(C)n1cc2c(C(F)(F)F)cc(N3CCNCC3)nc2n1.
What is the InChIKey of 6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is HIWIFZKHVMEJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c1-9(2)22-8-10-11(14(15,16)17)7-12(19-13(10)20-22)21-5-3-18-4-6-21/h7-9,18H,3-6H2,1-2H3.
What are the key properties of 6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 313.33 g/mol, XLogP of 2.44, 2 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-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 25248608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).