1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone

C26H24N6O3 — CID 46198480

IUPAC1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(Nc3ccc(-c4cnco4)cc3)nc3c2CN(C(C)=O)CC3)c1
InChIInChI=1S/C26H24N6O3/c1-16(33)19-4-3-5-21(12-19)28-25-22-14-32(17(2)34)11-10-23(22)30-26(31-25)29-20-8-6-18(7-9-20)24-13-27-15-35-24/h3-9,12-13,15H,10-11,14H2,1-2H3,(H2,28,29,30,31)
InChIKeyFSQDTZQYOIGFAH-UHFFFAOYSA-N
MW468.52 g/mol
LogP4.73
Rot. Bonds6

About 1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone

1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone (PubChem CID 46198480) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone
PubChem CID46198480
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(Nc3ccc(-c4cnco4)cc3)nc3c2CN(C(C)=O)CC3)c1
InChIInChI=1S/C26H24N6O3/c1-16(33)19-4-3-5-21(12-19)28-25-22-14-32(17(2)34)11-10-23(22)30-26(31-25)29-20-8-6-18(7-9-20)24-13-27-15-35-24/h3-9,12-13,15H,10-11,14H2,1-2H3,(H2,28,29,30,31)
InChIKeyFSQDTZQYOIGFAH-UHFFFAOYSA-N
XLogP4.73
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone (CID 46198480) is 1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2nc(Nc3ccc(-c4cnco4)cc3)nc3c2CN(C(C)=O)CC3)c1.
What is the InChIKey of 1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone?
The InChIKey is FSQDTZQYOIGFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-16(33)19-4-3-5-21(12-19)28-25-22-14-32(17(2)34)11-10-23(22)30-26(31-25)29-20-8-6-18(7-9-20)24-13-27-15-35-24/h3-9,12-13,15H,10-11,14H2,1-2H3,(H2,28,29,30,31).
What are the key properties of 1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone?
1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone has a molecular weight of 468.52 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-acetyl-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 46198480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).