4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one

C22H20ClN5O2 — CID 71510232

IUPAC4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one
SMILESCOc1c(C(C)n2ccc(=O)c3c(N)ncnc32)cc(Cl)c(C)c1-c1cccnc1
InChIInChI=1S/C22H20ClN5O2/c1-12-16(23)9-15(20(30-3)18(12)14-5-4-7-25-10-14)13(2)28-8-6-17(29)19-21(24)26-11-27-22(19)28/h4-11,13H,1-3H3,(H2,24,26,27)
InChIKeyZIMNJKKNCVHWOV-UHFFFAOYSA-N
MW421.89 g/mol
LogP4.02
Rot. Bonds4

About 4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one

4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one (PubChem CID 71510232) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one
PubChem CID71510232
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one
SMILESCOc1c(C(C)n2ccc(=O)c3c(N)ncnc32)cc(Cl)c(C)c1-c1cccnc1
InChIInChI=1S/C22H20ClN5O2/c1-12-16(23)9-15(20(30-3)18(12)14-5-4-7-25-10-14)13(2)28-8-6-17(29)19-21(24)26-11-27-22(19)28/h4-11,13H,1-3H3,(H2,24,26,27)
InChIKeyZIMNJKKNCVHWOV-UHFFFAOYSA-N
XLogP4.02
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one (CID 71510232) is 4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one is COc1c(C(C)n2ccc(=O)c3c(N)ncnc32)cc(Cl)c(C)c1-c1cccnc1.
What is the InChIKey of 4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is ZIMNJKKNCVHWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-12-16(23)9-15(20(30-3)18(12)14-5-4-7-25-10-14)13(2)28-8-6-17(29)19-21(24)26-11-27-22(19)28/h4-11,13H,1-3H3,(H2,24,26,27).
What are the key properties of 4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one?
4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 421.89 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 71510232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).