6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one

C26H28N6O3 — CID 163581211

IUPAC6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc4c(c3)OCC3=CNCCN34)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H28N6O3/c1-15-20-13-28-26(30-24(20)32(18-5-3-4-6-18)25(34)23(15)16(2)33)29-17-7-8-21-22(11-17)35-14-19-12-27-9-10-31(19)21/h7-8,11-13,18,27H,3-6,9-10,14H2,1-2H3,(H,28,29,30)
InChIKeyGHRGARQWCGEVQT-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.80
Rot. Bonds4

About 6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 163581211) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID163581211
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc4c(c3)OCC3=CNCCN34)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H28N6O3/c1-15-20-13-28-26(30-24(20)32(18-5-3-4-6-18)25(34)23(15)16(2)33)29-17-7-8-21-22(11-17)35-14-19-12-27-9-10-31(19)21/h7-8,11-13,18,27H,3-6,9-10,14H2,1-2H3,(H,28,29,30)
InChIKeyGHRGARQWCGEVQT-UHFFFAOYSA-N
XLogP3.80
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 163581211) is 6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc4c(c3)OCC3=CNCCN34)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GHRGARQWCGEVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-15-20-13-28-26(30-24(20)32(18-5-3-4-6-18)25(34)23(15)16(2)33)29-17-7-8-21-22(11-17)35-14-19-12-27-9-10-31(19)21/h7-8,11-13,18,27H,3-6,9-10,14H2,1-2H3,(H,28,29,30).
What are the key properties of 6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 472.55 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 163581211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).