3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide

C23H15Cl2N5O3 — CID 163301150

IUPAC3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide
SMILESO=C(Nc1cccc2ncn(Cc3cnn4ccccc34)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C23H15Cl2N5O3/c24-15-8-13(9-16(25)21(15)31)22(32)28-18-5-3-4-17-20(18)23(33)29(12-26-17)11-14-10-27-30-7-2-1-6-19(14)30/h1-10,12,31H,11H2,(H,28,32)
InChIKeyFDZLFYQJJDMYKI-UHFFFAOYSA-N
MW480.31 g/mol
LogP4.36
Rot. Bonds4

About 3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide

3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide (PubChem CID 163301150) has the molecular formula C23H15Cl2N5O3 and a molecular weight of 480.31 g/mol. Its IUPAC name is 3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide
PubChem CID163301150
Molecular FormulaC23H15Cl2N5O3
Molecular Weight480.31 g/mol
Exact Mass479.06
IUPAC Name3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide
SMILESO=C(Nc1cccc2ncn(Cc3cnn4ccccc34)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C23H15Cl2N5O3/c24-15-8-13(9-16(25)21(15)31)22(32)28-18-5-3-4-17-20(18)23(33)29(12-26-17)11-14-10-27-30-7-2-1-6-19(14)30/h1-10,12,31H,11H2,(H,28,32)
InChIKeyFDZLFYQJJDMYKI-UHFFFAOYSA-N
XLogP4.36
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.31
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide?
The IUPAC name of 3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide (CID 163301150) is 3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide?
The canonical SMILES for 3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide is O=C(Nc1cccc2ncn(Cc3cnn4ccccc34)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide?
The InChIKey is FDZLFYQJJDMYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N5O3/c24-15-8-13(9-16(25)21(15)31)22(32)28-18-5-3-4-17-20(18)23(33)29(12-26-17)11-14-10-27-30-7-2-1-6-19(14)30/h1-10,12,31H,11H2,(H,28,32).
What are the key properties of 3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide?
3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide has a molecular weight of 480.31 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-hydroxy-N-[4-oxo-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)quinazolin-5-yl]benzamide is sourced from PubChem (CID 163301150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).