1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea

C26H21FN6O2 — CID 69299461

IUPAC1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea
SMILESCCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cccc4ccccc34)c2)cc2cnc(N)nc21
InChIInChI=1S/C26H21FN6O2/c1-2-33-23-17(14-29-25(28)32-23)12-19(24(33)34)16-10-11-20(27)22(13-16)31-26(35)30-21-9-5-7-15-6-3-4-8-18(15)21/h3-14H,2H2,1H3,(H2,28,29,32)(H2,30,31,35)
InChIKeyZBHZXZBZKSZEGL-UHFFFAOYSA-N
MW468.49 g/mol
LogP5.00
Rot. Bonds4

About 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea

1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea (PubChem CID 69299461) has the molecular formula C26H21FN6O2 and a molecular weight of 468.49 g/mol. Its IUPAC name is 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea
PubChem CID69299461
Molecular FormulaC26H21FN6O2
Molecular Weight468.49 g/mol
Exact Mass468.17
IUPAC Name1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea
SMILESCCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cccc4ccccc34)c2)cc2cnc(N)nc21
InChIInChI=1S/C26H21FN6O2/c1-2-33-23-17(14-29-25(28)32-23)12-19(24(33)34)16-10-11-20(27)22(13-16)31-26(35)30-21-9-5-7-15-6-3-4-8-18(15)21/h3-14H,2H2,1H3,(H2,28,29,32)(H2,30,31,35)
InChIKeyZBHZXZBZKSZEGL-UHFFFAOYSA-N
XLogP5.00
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea
CID 91300144
1-[5-(2-amino-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 69297867
1-[5-(2-amino-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
CID 68983802
1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea
CID 69298789
1-(3,5-dimethylphenyl)-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
CID 69297400
1-cyclohexyl-3-[2-fluoro-5-[8-(2-hydroxyethyl)-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
CID 69298833
N',N'-dimethylpyrrolidine-1-carbohydrazide;1-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]-3-phenylurea
CID 161066690
1-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1-propan-2-ylpyrazol-4-yl)urea
CID 69294331
7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one
CID 69035893
1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea
CID 69295849
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[5-[8-ethyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-fluoro-4-methylphenyl]urea
CID 69297529
1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 73295888

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea (CID 69299461) is 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea is CCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cccc4ccccc34)c2)cc2cnc(N)nc21.
What is the InChIKey of 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea?
The InChIKey is ZBHZXZBZKSZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6O2/c1-2-33-23-17(14-29-25(28)32-23)12-19(24(33)34)16-10-11-20(27)22(13-16)31-26(35)30-21-9-5-7-15-6-3-4-8-18(15)21/h3-14H,2H2,1H3,(H2,28,29,32)(H2,30,31,35).
What are the key properties of 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea?
1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea has a molecular weight of 468.49 g/mol, XLogP of 5.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 69299461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).