6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione

C16H14Cl2N4O2 — CID 163236140

IUPAC6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1ccnc(C(C)C)c1-n1c(=O)c(=O)[nH]c2cc(Cl)c(Cl)nc21
InChIInChI=1S/C16H14Cl2N4O2/c1-7(2)11-12(8(3)4-5-19-11)22-14-10(20-15(23)16(22)24)6-9(17)13(18)21-14/h4-7H,1-3H3,(H,20,23)
InChIKeyIFTZJUPNNHMIMP-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.21
Rot. Bonds2

About 6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione

6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 163236140) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID163236140
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1ccnc(C(C)C)c1-n1c(=O)c(=O)[nH]c2cc(Cl)c(Cl)nc21
InChIInChI=1S/C16H14Cl2N4O2/c1-7(2)11-12(8(3)4-5-19-11)22-14-10(20-15(23)16(22)24)6-9(17)13(18)21-14/h4-7H,1-3H3,(H,20,23)
InChIKeyIFTZJUPNNHMIMP-UHFFFAOYSA-N
XLogP3.21
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione (CID 163236140) is 6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione is Cc1ccnc(C(C)C)c1-n1c(=O)c(=O)[nH]c2cc(Cl)c(Cl)nc21.
What is the InChIKey of 6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is IFTZJUPNNHMIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c1-7(2)11-12(8(3)4-5-19-11)22-14-10(20-15(23)16(22)24)6-9(17)13(18)21-14/h4-7H,1-3H3,(H,20,23).
What are the key properties of 6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 365.22 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 6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 163236140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).