4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one

C22H19ClFN5O2 — CID 71510498

IUPAC4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one
SMILESCOc1c(C(C)n2ccc(=O)c3c(N)ncnc32)cc(Cl)c(C)c1-c1cncc(F)c1
InChIInChI=1S/C22H19ClFN5O2/c1-11-16(23)7-15(20(31-3)18(11)13-6-14(24)9-26-8-13)12(2)29-5-4-17(30)19-21(25)27-10-28-22(19)29/h4-10,12H,1-3H3,(H2,25,27,28)
InChIKeyCIJZPRNRFKMXEE-UHFFFAOYSA-N
MW439.88 g/mol
LogP4.15
Rot. Bonds4

About 4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one

4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one (PubChem CID 71510498) has the molecular formula C22H19ClFN5O2 and a molecular weight of 439.88 g/mol. Its IUPAC name is 4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one
PubChem CID71510498
Molecular FormulaC22H19ClFN5O2
Molecular Weight439.88 g/mol
Exact Mass439.12
IUPAC Name4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one
SMILESCOc1c(C(C)n2ccc(=O)c3c(N)ncnc32)cc(Cl)c(C)c1-c1cncc(F)c1
InChIInChI=1S/C22H19ClFN5O2/c1-11-16(23)7-15(20(31-3)18(11)13-6-14(24)9-26-8-13)12(2)29-5-4-17(30)19-21(25)27-10-28-22(19)29/h4-10,12H,1-3H3,(H2,25,27,28)
InChIKeyCIJZPRNRFKMXEE-UHFFFAOYSA-N
XLogP4.15
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-3-carboxamide
CID 155517153
4-Amino-6-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethylamino]pyrimidine-5-carbonitrile
CID 155544339
4-Amino-6-({1-[5-chloro-3-(5-cyanopyridin-3-yl)-4-fluoro-2-methoxyphenyl]ethyl}amino)pyrimidine-5-carbonitrile
CID 86711470
4-Amino-6-[1-[5-chloro-3-(5-cyano-3-pyridinyl)-2-methoxy-4-methylphenyl]ethylamino]pyrimidine-5-carbonitrile
CID 88961844
4-Amino-6-[1-[5-chloro-2-methoxy-4-methyl-3-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethylamino]pyrimidine-5-carbonitrile
CID 88961902
4-Amino-6-[1-[3-(2-aminopyrimidin-5-yl)-5-chloro-2-methoxy-4-methylphenyl]ethylamino]pyrimidine-5-carbonitrile
CID 88961903
5-(3-{1-[4-Amino-3-(difluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-5-chloro-2-methoxy-6-methylphenyl)-N,N-dimethylpyridine-2-carboxamide
CID 89425121
5-[3-[1-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]ethyl]-5-chloro-2-(2,2-difluoroethoxy)-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide
CID 89425138
5-{3-[1-(4-Amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl}-N,N-dimethylpyridine-2-carboxamide bis(trifluoroacetate)
CID 71508935
4-Amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5(8H)-one bis(trifluoroacetate)
CID 71510232
5-{3-[1-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl}-N-methylpyridine-2-carboxamide bis(trifluoroacetate)
CID 71510357
4-Amino-8-[1-(5-chloro-2-methoxy-4-methyl-3-pyrimidin-5-ylphenyl)ethyl]pyrido[2,3-d]pyrimidin-5(8H)-one bis(trifluoroacetate)
CID 71510358

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one (CID 71510498) is 4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one is COc1c(C(C)n2ccc(=O)c3c(N)ncnc32)cc(Cl)c(C)c1-c1cncc(F)c1.
What is the InChIKey of 4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is CIJZPRNRFKMXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O2/c1-11-16(23)7-15(20(31-3)18(11)13-6-14(24)9-26-8-13)12(2)29-5-4-17(30)19-21(25)27-10-28-22(19)29/h4-10,12H,1-3H3,(H2,25,27,28).
What are the key properties of 4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one?
4-amino-8-[1-[5-chloro-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 439.88 g/mol, XLogP of 4.15, 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-3-(5-fluoro-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 71510498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).