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

C25H25N7O2 — CID 46198653

IUPAC1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(C)Cc3cccnc3)c2C1
InChIInChI=1S/C25H25N7O2/c1-17(33)32-11-9-22-21(15-32)24(31(2)14-18-4-3-10-26-12-18)30-25(29-22)28-20-7-5-19(6-8-20)23-13-27-16-34-23/h3-8,10,12-13,16H,9,11,14-15H2,1-2H3,(H,28,29,30)
InChIKeyAYFHLLLOYDIZHT-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.81
Rot. Bonds6

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

1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 46198653) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID46198653
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(C)Cc3cccnc3)c2C1
InChIInChI=1S/C25H25N7O2/c1-17(33)32-11-9-22-21(15-32)24(31(2)14-18-4-3-10-26-12-18)30-25(29-22)28-20-7-5-19(6-8-20)23-13-27-16-34-23/h3-8,10,12-13,16H,9,11,14-15H2,1-2H3,(H,28,29,30)
InChIKeyAYFHLLLOYDIZHT-UHFFFAOYSA-N
XLogP3.81
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 46198653) is 1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(C)Cc3cccnc3)c2C1.
What is the InChIKey of 1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is AYFHLLLOYDIZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-17(33)32-11-9-22-21(15-32)24(31(2)14-18-4-3-10-26-12-18)30-25(29-22)28-20-7-5-19(6-8-20)23-13-27-16-34-23/h3-8,10,12-13,16H,9,11,14-15H2,1-2H3,(H,28,29,30).
What are the key properties of 1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 455.52 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl(pyridin-3-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 46198653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).