[8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone

C18H14Cl2N4O2 — CID 118077758

IUPAC[8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cnc2cncc(-c3ccc(Cl)cc3Cl)c2n1)N1CCC(O)C1
InChIInChI=1S/C18H14Cl2N4O2/c19-10-1-2-12(14(20)5-10)13-6-21-7-15-17(13)23-16(8-22-15)18(26)24-4-3-11(25)9-24/h1-2,5-8,11,25H,3-4,9H2
InChIKeyWLRKAHJGRYAYLB-UHFFFAOYSA-N
MW389.24 g/mol
LogP3.21
Rot. Bonds2

About [8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone

[8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 118077758) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is [8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID118077758
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name[8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cnc2cncc(-c3ccc(Cl)cc3Cl)c2n1)N1CCC(O)C1
InChIInChI=1S/C18H14Cl2N4O2/c19-10-1-2-12(14(20)5-10)13-6-21-7-15-17(13)23-16(8-22-15)18(26)24-4-3-11(25)9-24/h1-2,5-8,11,25H,3-4,9H2
InChIKeyWLRKAHJGRYAYLB-UHFFFAOYSA-N
XLogP3.21
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 118077769
[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 75203887
[8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 118077777
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103781423
(3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane
CID 142527606
1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol
CID 144843563

Frequently Asked Questions

What is the IUPAC name of [8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone (CID 118077758) is [8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1cnc2cncc(-c3ccc(Cl)cc3Cl)c2n1)N1CCC(O)C1.
What is the InChIKey of [8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is WLRKAHJGRYAYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c19-10-1-2-12(14(20)5-10)13-6-21-7-15-17(13)23-16(8-22-15)18(26)24-4-3-11(25)9-24/h1-2,5-8,11,25H,3-4,9H2.
What are the key properties of [8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
[8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 389.24 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 118077758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).