6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one

C25H29F2N5O3 — CID 70316906

IUPAC6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCC(C)OCCn1c(=O)c(NCCCN2CCCC2=O)nc2ccc(-c3ccc(F)c(F)c3)nc21
InChIInChI=1S/C25H29F2N5O3/c1-16(2)35-14-13-32-24-21(9-8-20(30-24)17-6-7-18(26)19(27)15-17)29-23(25(32)34)28-10-4-12-31-11-3-5-22(31)33/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,28,29)
InChIKeyBRFZIHWXWSUNRC-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.59
Rot. Bonds10

About 6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one

6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 70316906) has the molecular formula C25H29F2N5O3 and a molecular weight of 485.54 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID70316906
Molecular FormulaC25H29F2N5O3
Molecular Weight485.54 g/mol
Exact Mass485.22
IUPAC Name6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCC(C)OCCn1c(=O)c(NCCCN2CCCC2=O)nc2ccc(-c3ccc(F)c(F)c3)nc21
InChIInChI=1S/C25H29F2N5O3/c1-16(2)35-14-13-32-24-21(9-8-20(30-24)17-6-7-18(26)19(27)15-17)29-23(25(32)34)28-10-4-12-31-11-3-5-22(31)33/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,28,29)
InChIKeyBRFZIHWXWSUNRC-UHFFFAOYSA-N
XLogP3.59
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one 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-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one (CID 70316906) is 6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one is CC(C)OCCn1c(=O)c(NCCCN2CCCC2=O)nc2ccc(-c3ccc(F)c(F)c3)nc21.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is BRFZIHWXWSUNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O3/c1-16(2)35-14-13-32-24-21(9-8-20(30-24)17-6-7-18(26)19(27)15-17)29-23(25(32)34)28-10-4-12-31-11-3-5-22(31)33/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,28,29).
What are the key properties of 6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one?
6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 485.54 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 70316906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).