2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one

C20H23F2N5O2 — CID 154613447

IUPAC2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one
SMILES[H]/N=C(\CN1CCN(C2CC2)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C20H23F2N5O2/c21-12-2-1-3-13(22)15(12)17-19(29)18(28)16(20(24)25-17)14(23)10-26-6-8-27(9-7-26)11-4-5-11/h1-3,11,23,29H,4-10H2,(H3,24,25,28)/b23-14+
InChIKeyNSPADQJEIUHKKW-OEAKJJBVSA-N
MW403.43 g/mol
LogP1.76
Rot. Bonds5

About 2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one

2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one (PubChem CID 154613447) has the molecular formula C20H23F2N5O2 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one
PubChem CID154613447
Molecular FormulaC20H23F2N5O2
Molecular Weight403.43 g/mol
Exact Mass403.18
IUPAC Name2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one
SMILES[H]/N=C(\CN1CCN(C2CC2)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C20H23F2N5O2/c21-12-2-1-3-13(22)15(12)17-19(29)18(28)16(20(24)25-17)14(23)10-26-6-8-27(9-7-26)11-4-5-11/h1-3,11,23,29H,4-10H2,(H3,24,25,28)/b23-14+
InChIKeyNSPADQJEIUHKKW-OEAKJJBVSA-N
XLogP1.76
TPSA109.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one?
The IUPAC name of 2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one (CID 154613447) is 2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one is [H]/N=C(\CN1CCN(C2CC2)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O.
What is the InChIKey of 2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one?
The InChIKey is NSPADQJEIUHKKW-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H23F2N5O2/c21-12-2-1-3-13(22)15(12)17-19(29)18(28)16(20(24)25-17)14(23)10-26-6-8-27(9-7-26)11-4-5-11/h1-3,11,23,29H,4-10H2,(H3,24,25,28)/b23-14+.
What are the key properties of 2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one?
2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one has a molecular weight of 403.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(4-cyclopropylpiperazin-1-yl)ethanimidoyl]-6-(2,6-difluorophenyl)-5-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 154613447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).