1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea

C19H18BrN5O2 — CID 155775429

IUPAC1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea
SMILESO=C(Nc1cccc(Oc2ncnc3ncc(Br)cc23)c1)NC1CCCC1
InChIInChI=1S/C19H18BrN5O2/c20-12-8-16-17(21-10-12)22-11-23-18(16)27-15-7-3-6-14(9-15)25-19(26)24-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5H2,(H2,24,25,26)
InChIKeyZEPQYYWVJSQLBI-UHFFFAOYSA-N
MW428.29 g/mol
LogP4.64
Rot. Bonds4

About 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea

1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea (PubChem CID 155775429) has the molecular formula C19H18BrN5O2 and a molecular weight of 428.29 g/mol. Its IUPAC name is 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea
PubChem CID155775429
Molecular FormulaC19H18BrN5O2
Molecular Weight428.29 g/mol
Exact Mass427.06
IUPAC Name1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea
SMILESO=C(Nc1cccc(Oc2ncnc3ncc(Br)cc23)c1)NC1CCCC1
InChIInChI=1S/C19H18BrN5O2/c20-12-8-16-17(21-10-12)22-11-23-18(16)27-15-7-3-6-14(9-15)25-19(26)24-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5H2,(H2,24,25,26)
InChIKeyZEPQYYWVJSQLBI-UHFFFAOYSA-N
XLogP4.64
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea?
The IUPAC name of 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea (CID 155775429) is 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea?
The canonical SMILES for 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea is O=C(Nc1cccc(Oc2ncnc3ncc(Br)cc23)c1)NC1CCCC1.
What is the InChIKey of 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea?
The InChIKey is ZEPQYYWVJSQLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5O2/c20-12-8-16-17(21-10-12)22-11-23-18(16)27-15-7-3-6-14(9-15)25-19(26)24-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5H2,(H2,24,25,26).
What are the key properties of 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea?
1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea has a molecular weight of 428.29 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-cyclopentylurea is sourced from PubChem (CID 155775429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).