3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C19H20F3N5 — CID 3585431

IUPAC3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2nc(N3CCN(C)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H20F3N5/c1-13-17-15(19(20,21)22)12-16(26-10-8-25(2)9-11-26)23-18(17)27(24-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyYTHVWWHDSFMRLO-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.50
Rot. Bonds2

About 3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 3585431) has the molecular formula C19H20F3N5 and a molecular weight of 375.40 g/mol. Its IUPAC name is 3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID3585431
Molecular FormulaC19H20F3N5
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC Name3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2nc(N3CCN(C)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H20F3N5/c1-13-17-15(19(20,21)22)12-16(26-10-8-25(2)9-11-26)23-18(17)27(24-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyYTHVWWHDSFMRLO-UHFFFAOYSA-N
XLogP3.50
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17025879
3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine
CID 108773534
2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112870777
6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline
CID 59007243
1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308003
6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090878
6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17307964
1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308117
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383
3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55788023
1-(4-bromophenyl)-3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308004

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 3585431) is 3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(-c2ccccc2)c2nc(N3CCN(C)CC3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is YTHVWWHDSFMRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5/c1-13-17-15(19(20,21)22)12-16(26-10-8-25(2)9-11-26)23-18(17)27(24-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 375.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 3585431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).