5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid

C20H16F2N4O2 — CID 24853332

IUPAC5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc3c(c2)N(Cc2cc(F)ccc2F)CCN3)cn1
InChIInChI=1S/C20H16F2N4O2/c21-15-2-3-16(22)14(7-15)11-26-6-5-23-19-18(26)8-13(10-25-19)12-1-4-17(20(27)28)24-9-12/h1-4,7-10H,5-6,11H2,(H,23,25)(H,27,28)
InChIKeyDKNWAXFJBDGQLN-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.55
Rot. Bonds4

About 5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid

5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid (PubChem CID 24853332) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid
PubChem CID24853332
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc3c(c2)N(Cc2cc(F)ccc2F)CCN3)cn1
InChIInChI=1S/C20H16F2N4O2/c21-15-2-3-16(22)14(7-15)11-26-6-5-23-19-18(26)8-13(10-25-19)12-1-4-17(20(27)28)24-9-12/h1-4,7-10H,5-6,11H2,(H,23,25)(H,27,28)
InChIKeyDKNWAXFJBDGQLN-UHFFFAOYSA-N
XLogP3.55
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid (CID 24853332) is 5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2cnc3c(c2)N(Cc2cc(F)ccc2F)CCN3)cn1.
What is the InChIKey of 5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid?
The InChIKey is DKNWAXFJBDGQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c21-15-2-3-16(22)14(7-15)11-26-6-5-23-19-18(26)8-13(10-25-19)12-1-4-17(20(27)28)24-9-12/h1-4,7-10H,5-6,11H2,(H,23,25)(H,27,28).
What are the key properties of 5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid?
5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid has a molecular weight of 382.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 24853332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).