(2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

C18H13Cl2N5O — CID 86281549

IUPAC(2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2cnccn2)C1
InChIInChI=1S/C18H13Cl2N5O/c19-13-3-1-2-12(16(13)20)18(26)25-7-4-11-15(9-25)23-10-24-17(11)14-8-21-5-6-22-14/h1-3,5-6,8,10H,4,7,9H2
InChIKeyHWIQIOIKXDRQPK-UHFFFAOYSA-N
MW386.24 g/mol
LogP3.44
Rot. Bonds2

About (2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

(2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 86281549) has the molecular formula C18H13Cl2N5O and a molecular weight of 386.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID86281549
Molecular FormulaC18H13Cl2N5O
Molecular Weight386.24 g/mol
Exact Mass385.05
IUPAC Name(2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2cnccn2)C1
InChIInChI=1S/C18H13Cl2N5O/c19-13-3-1-2-12(16(13)20)18(26)25-7-4-11-15(9-25)23-10-24-17(11)14-8-21-5-6-22-14/h1-3,5-6,8,10H,4,7,9H2
InChIKeyHWIQIOIKXDRQPK-UHFFFAOYSA-N
XLogP3.44
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 86281549) is (2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2cnccn2)C1.
What is the InChIKey of (2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is HWIQIOIKXDRQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5O/c19-13-3-1-2-12(16(13)20)18(26)25-7-4-11-15(9-25)23-10-24-17(11)14-8-21-5-6-22-14/h1-3,5-6,8,10H,4,7,9H2.
What are the key properties of (2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
(2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone has a molecular weight of 386.24 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(4-pyrazin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 86281549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).