N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

C20H20F4N4O4 — CID 71769070

IUPACN-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCc1cnc2c(c1)NC(=O)CN2C(=O)NC(c1ccc(OC(F)(F)F)c(F)c1)C(C)(C)O
InChIInChI=1S/C20H20F4N4O4/c1-10-6-13-17(25-8-10)28(9-15(29)26-13)18(30)27-16(19(2,3)31)11-4-5-14(12(21)7-11)32-20(22,23)24/h4-8,16,31H,9H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyOSRAIRAXTZFCMQ-UHFFFAOYSA-N
MW456.40 g/mol
LogP3.41
Rot. Bonds4

About N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 71769070) has the molecular formula C20H20F4N4O4 and a molecular weight of 456.40 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID71769070
Molecular FormulaC20H20F4N4O4
Molecular Weight456.40 g/mol
Exact Mass456.14
IUPAC NameN-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCc1cnc2c(c1)NC(=O)CN2C(=O)NC(c1ccc(OC(F)(F)F)c(F)c1)C(C)(C)O
InChIInChI=1S/C20H20F4N4O4/c1-10-6-13-17(25-8-10)28(9-15(29)26-13)18(30)27-16(19(2,3)31)11-4-5-14(12(21)7-11)32-20(22,23)24/h4-8,16,31H,9H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyOSRAIRAXTZFCMQ-UHFFFAOYSA-N
XLogP3.41
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The IUPAC name of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (CID 71769070) is N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.
What is the SMILES notation for N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The canonical SMILES for N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is Cc1cnc2c(c1)NC(=O)CN2C(=O)NC(c1ccc(OC(F)(F)F)c(F)c1)C(C)(C)O.
What is the InChIKey of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The InChIKey is OSRAIRAXTZFCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N4O4/c1-10-6-13-17(25-8-10)28(9-15(29)26-13)18(30)27-16(19(2,3)31)11-4-5-14(12(21)7-11)32-20(22,23)24/h4-8,16,31H,9H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 456.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 71769070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).