2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile

C21H18F3N9 — CID 146591670

IUPAC2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccnc3c(-c3ccn(C4(CC#N)CN(CC(F)(F)F)C4)n3)n2)cn1
InChIInChI=1S/C21H18F3N9/c1-31-10-14(9-28-31)16-8-17-18(27-6-5-26-17)19(29-16)15-2-7-33(30-15)20(3-4-25)11-32(12-20)13-21(22,23)24/h2,5-10H,3,11-13H2,1H3
InChIKeyZPFUVLNSQWAQFU-UHFFFAOYSA-N
MW453.43 g/mol
LogP2.78
Rot. Bonds5

About 2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile

2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (PubChem CID 146591670) has the molecular formula C21H18F3N9 and a molecular weight of 453.43 g/mol. Its IUPAC name is 2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
PubChem CID146591670
Molecular FormulaC21H18F3N9
Molecular Weight453.43 g/mol
Exact Mass453.16
IUPAC Name2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccnc3c(-c3ccn(C4(CC#N)CN(CC(F)(F)F)C4)n3)n2)cn1
InChIInChI=1S/C21H18F3N9/c1-31-10-14(9-28-31)16-8-17-18(27-6-5-26-17)19(29-16)15-2-7-33(30-15)20(3-4-25)11-32(12-20)13-21(22,23)24/h2,5-10H,3,11-13H2,1H3
InChIKeyZPFUVLNSQWAQFU-UHFFFAOYSA-N
XLogP2.78
TPSA101.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-cyclopropylsulfonyl-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 142530274
2-[1-(cyanomethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 87408447
2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 87407581
2-[3-[4-(7-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
CID 67456817
2-[1-methylsulfonyl-3-[3-[7-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 142530290
2-[1-methylsulfonyl-3-[3-[7-(1,3-oxazol-5-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 146591673
2-[2-(cyanomethyl)-6-[4-[6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-6-yl]acetonitrile
CID 175663878
2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
CID 142530293
2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile
CID 123763551
3-(cyanomethyl)-3-[13-(1-methylpyrazol-4-yl)-4,5,7,10,11,14-hexazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2,5,8(15),9,12-hexaen-4-yl]azetidine-1-carbonitrile
CID 167134882
2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile
CID 155429472
2-[6-[4-[6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]acetonitrile
CID 176590231

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (CID 146591670) is 2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is Cn1cc(-c2cc3nccnc3c(-c3ccn(C4(CC#N)CN(CC(F)(F)F)C4)n3)n2)cn1.
What is the InChIKey of 2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The InChIKey is ZPFUVLNSQWAQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N9/c1-31-10-14(9-28-31)16-8-17-18(27-6-5-26-17)19(29-16)15-2-7-33(30-15)20(3-4-25)11-32(12-20)13-21(22,23)24/h2,5-10H,3,11-13H2,1H3.
What are the key properties of 2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile has a molecular weight of 453.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 146591670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).