6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide

C22H18F4N6O3 — CID 162772267

IUPAC6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)NCC(O)C(F)(F)F)c4nccnc4c3=O)c(F)c2)cn1
InChIInChI=1S/C22H18F4N6O3/c1-31-9-14(7-30-31)12-2-3-13(16(23)6-12)10-32-11-15(18-19(21(32)35)28-5-4-27-18)20(34)29-8-17(33)22(24,25)26/h2-7,9,11,17,33H,8,10H2,1H3,(H,29,34)
InChIKeyIFPUYRVHGQZMEA-UHFFFAOYSA-N
MW490.42 g/mol
LogP2.03
Rot. Bonds6

About 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide

6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide (PubChem CID 162772267) has the molecular formula C22H18F4N6O3 and a molecular weight of 490.42 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide.

Molecular Properties

Compound Name6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide
PubChem CID162772267
Molecular FormulaC22H18F4N6O3
Molecular Weight490.42 g/mol
Exact Mass490.14
IUPAC Name6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)NCC(O)C(F)(F)F)c4nccnc4c3=O)c(F)c2)cn1
InChIInChI=1S/C22H18F4N6O3/c1-31-9-14(7-30-31)12-2-3-13(16(23)6-12)10-32-11-15(18-19(21(32)35)28-5-4-27-18)20(34)29-8-17(33)22(24,25)26/h2-7,9,11,17,33H,8,10H2,1H3,(H,29,34)
InChIKeyIFPUYRVHGQZMEA-UHFFFAOYSA-N
XLogP2.03
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide?
The IUPAC name of 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide (CID 162772267) is 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide.
What is the SMILES notation for 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide?
The canonical SMILES for 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide is Cn1cc(-c2ccc(Cn3cc(C(=O)NCC(O)C(F)(F)F)c4nccnc4c3=O)c(F)c2)cn1.
What is the InChIKey of 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide?
The InChIKey is IFPUYRVHGQZMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N6O3/c1-31-9-14(7-30-31)12-2-3-13(16(23)6-12)10-32-11-15(18-19(21(32)35)28-5-4-27-18)20(34)29-8-17(33)22(24,25)26/h2-7,9,11,17,33H,8,10H2,1H3,(H,29,34).
What are the key properties of 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide?
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide has a molecular weight of 490.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide is sourced from PubChem (CID 162772267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).