1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile

C22H23F3N8 — CID 138550082

IUPAC1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile
SMILESCc1nc(N2CCN(CC(F)(F)F)CC2)cc(-n2ncc3cnc(C4(C#N)CCC4)cc32)n1
InChIInChI=1S/C22H23F3N8/c1-15-29-19(32-7-5-31(6-8-32)14-22(23,24)25)10-20(30-15)33-17-9-18(21(13-26)3-2-4-21)27-11-16(17)12-28-33/h9-12H,2-8,14H2,1H3
InChIKeyNZPBOKZNOIUDHB-UHFFFAOYSA-N
MW456.48 g/mol
LogP3.15
Rot. Bonds4

About 1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile

1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile (PubChem CID 138550082) has the molecular formula C22H23F3N8 and a molecular weight of 456.48 g/mol. Its IUPAC name is 1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile
PubChem CID138550082
Molecular FormulaC22H23F3N8
Molecular Weight456.48 g/mol
Exact Mass456.20
IUPAC Name1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile
SMILESCc1nc(N2CCN(CC(F)(F)F)CC2)cc(-n2ncc3cnc(C4(C#N)CCC4)cc32)n1
InChIInChI=1S/C22H23F3N8/c1-15-29-19(32-7-5-31(6-8-32)14-22(23,24)25)10-20(30-15)33-17-9-18(21(13-26)3-2-4-21)27-11-16(17)12-28-33/h9-12H,2-8,14H2,1H3
InChIKeyNZPBOKZNOIUDHB-UHFFFAOYSA-N
XLogP3.15
TPSA86.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile with MolForge

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Related Compounds

5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550732
4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
CID 79176141
1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile
CID 118664991
1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile
CID 138550127
1-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-yl]indazol-6-yl]cyclobutane-1-carbonitrile
CID 138550090
(2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156519014
1-[1-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]cyclobutane-1-carbonitrile
CID 138550588
1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine
CID 114926345
(2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 162451568
2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 142556755
[5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 80628715
6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole
CID 138550143

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile (CID 138550082) is 1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile is Cc1nc(N2CCN(CC(F)(F)F)CC2)cc(-n2ncc3cnc(C4(C#N)CCC4)cc32)n1.
What is the InChIKey of 1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile?
The InChIKey is NZPBOKZNOIUDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N8/c1-15-29-19(32-7-5-31(6-8-32)14-22(23,24)25)10-20(30-15)33-17-9-18(21(13-26)3-2-4-21)27-11-16(17)12-28-33/h9-12H,2-8,14H2,1H3.
What are the key properties of 1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile?
1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile has a molecular weight of 456.48 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 138550082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).