3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile

C23H18ClN5O2 — CID 154656600

IUPAC3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
SMILESCc1c(C#N)cccc1-c1nc2[nH]ccc(=O)c2nc1-c1cc(Cl)c(=O)n(C(C)C)c1
InChIInChI=1S/C23H18ClN5O2/c1-12(2)29-11-15(9-17(24)23(29)31)19-20(16-6-4-5-14(10-25)13(16)3)28-22-21(27-19)18(30)7-8-26-22/h4-9,11-12H,1-3H3,(H,26,28,30)
InChIKeyFOCVTJDKBBDTKF-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.23
Rot. Bonds3

About 3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile

3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile (PubChem CID 154656600) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is 3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile.

Molecular Properties

Compound Name3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
PubChem CID154656600
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
SMILESCc1c(C#N)cccc1-c1nc2[nH]ccc(=O)c2nc1-c1cc(Cl)c(=O)n(C(C)C)c1
InChIInChI=1S/C23H18ClN5O2/c1-12(2)29-11-15(9-17(24)23(29)31)19-20(16-6-4-5-14(10-25)13(16)3)28-22-21(27-19)18(30)7-8-26-22/h4-9,11-12H,1-3H3,(H,26,28,30)
InChIKeyFOCVTJDKBBDTKF-UHFFFAOYSA-N
XLogP4.23
TPSA104.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile?
The IUPAC name of 3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile (CID 154656600) is 3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile.
What is the SMILES notation for 3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile?
The canonical SMILES for 3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile is Cc1c(C#N)cccc1-c1nc2[nH]ccc(=O)c2nc1-c1cc(Cl)c(=O)n(C(C)C)c1.
What is the InChIKey of 3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile?
The InChIKey is FOCVTJDKBBDTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c1-12(2)29-11-15(9-17(24)23(29)31)19-20(16-6-4-5-14(10-25)13(16)3)28-22-21(27-19)18(30)7-8-26-22/h4-9,11-12H,1-3H3,(H,26,28,30).
What are the key properties of 3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile?
3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile has a molecular weight of 431.88 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile is sourced from PubChem (CID 154656600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).