5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione

C27H28FN3O4 — CID 118875521

IUPAC5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ccccc1Oc1cnc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C
InChIInChI=1S/C27H28FN3O4/c1-17(2)20-7-4-5-8-22(20)35-23-16-29-25-24(21(23)15-18-9-11-19(28)12-10-18)26(33)31(13-6-14-32)27(34)30(25)3/h4-5,7-12,16-17,32H,6,13-15H2,1-3H3
InChIKeyJNZCSNNDLQONSU-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.12
Rot. Bonds8

About 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione

5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 118875521) has the molecular formula C27H28FN3O4 and a molecular weight of 477.54 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID118875521
Molecular FormulaC27H28FN3O4
Molecular Weight477.54 g/mol
Exact Mass477.21
IUPAC Name5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ccccc1Oc1cnc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C
InChIInChI=1S/C27H28FN3O4/c1-17(2)20-7-4-5-8-22(20)35-23-16-29-25-24(21(23)15-18-9-11-19(28)12-10-18)26(33)31(13-6-14-32)27(34)30(25)3/h4-5,7-12,16-17,32H,6,13-15H2,1-3H3
InChIKeyJNZCSNNDLQONSU-UHFFFAOYSA-N
XLogP4.12
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 57401797
CID 57401797
CID 57401798
CID 57401798
CID 118875472
CID 118875472
CID 118875482
CID 118875482
CID 118875489
CID 118875489
CID 118875495
CID 118875495
CID 118875498
CID 118875498
CID 118875501
CID 118875501
CID 118875502
CID 118875502
CID 118875503
CID 118875503
CID 118875505
CID 118875505
CID 118875507
CID 118875507

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione (CID 118875521) is 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1ccccc1Oc1cnc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JNZCSNNDLQONSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O4/c1-17(2)20-7-4-5-8-22(20)35-23-16-29-25-24(21(23)15-18-9-11-19(28)12-10-18)26(33)31(13-6-14-32)27(34)30(25)3/h4-5,7-12,16-17,32H,6,13-15H2,1-3H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione?
5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 477.54 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 118875521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).