6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one

C23H18BrN5O3 — CID 54314509

IUPAC6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one
SMILESCOCCn1c(=O)oc2cc(-c3cc(-c4cccc(Br)c4)c4c(N)ncnc4n3)ccc21
InChIInChI=1S/C23H18BrN5O3/c1-31-8-7-29-18-6-5-14(10-19(18)32-23(29)30)17-11-16(13-3-2-4-15(24)9-13)20-21(25)26-12-27-22(20)28-17/h2-6,9-12H,7-8H2,1H3,(H2,25,26,27,28)
InChIKeySNFJDNXLHGXPFY-UHFFFAOYSA-N
MW492.33 g/mol
LogP4.26
Rot. Bonds5

About 6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one

6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one (PubChem CID 54314509) has the molecular formula C23H18BrN5O3 and a molecular weight of 492.33 g/mol. Its IUPAC name is 6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one
PubChem CID54314509
Molecular FormulaC23H18BrN5O3
Molecular Weight492.33 g/mol
Exact Mass491.06
IUPAC Name6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one
SMILESCOCCn1c(=O)oc2cc(-c3cc(-c4cccc(Br)c4)c4c(N)ncnc4n3)ccc21
InChIInChI=1S/C23H18BrN5O3/c1-31-8-7-29-18-6-5-14(10-19(18)32-23(29)30)17-11-16(13-3-2-4-15(24)9-13)20-21(25)26-12-27-22(20)28-17/h2-6,9-12H,7-8H2,1H3,(H2,25,26,27,28)
InChIKeySNFJDNXLHGXPFY-UHFFFAOYSA-N
XLogP4.26
TPSA109.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one (CID 54314509) is 6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one is COCCn1c(=O)oc2cc(-c3cc(-c4cccc(Br)c4)c4c(N)ncnc4n3)ccc21.
What is the InChIKey of 6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one?
The InChIKey is SNFJDNXLHGXPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN5O3/c1-31-8-7-29-18-6-5-14(10-19(18)32-23(29)30)17-11-16(13-3-2-4-15(24)9-13)20-21(25)26-12-27-22(20)28-17/h2-6,9-12H,7-8H2,1H3,(H2,25,26,27,28).
What are the key properties of 6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one?
6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one has a molecular weight of 492.33 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-methoxyethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 54314509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).