6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

C26H32N6O3 — CID 5330304

IUPAC6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CC(C)OC(C)C4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H32N6O3/c1-15-13-31(14-16(2)35-15)20-9-10-22(27-11-20)29-26-28-12-21-17(3)23(18(4)33)25(34)32(24(21)30-26)19-7-5-6-8-19/h9-12,15-16,19H,5-8,13-14H2,1-4H3,(H,27,28,29,30)
InChIKeyNVURUIMJTOVZJR-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.17
Rot. Bonds5

About 6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330304) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330304
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CC(C)OC(C)C4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H32N6O3/c1-15-13-31(14-16(2)35-15)20-9-10-22(27-11-20)29-26-28-12-21-17(3)23(18(4)33)25(34)32(24(21)30-26)19-7-5-6-8-19/h9-12,15-16,19H,5-8,13-14H2,1-4H3,(H,27,28,29,30)
InChIKeyNVURUIMJTOVZJR-UHFFFAOYSA-N
XLogP4.17
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 5330304) is 6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CC(C)OC(C)C4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NVURUIMJTOVZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-15-13-31(14-16(2)35-15)20-9-10-22(27-11-20)29-26-28-12-21-17(3)23(18(4)33)25(34)32(24(21)30-26)19-7-5-6-8-19/h9-12,15-16,19H,5-8,13-14H2,1-4H3,(H,27,28,29,30).
What are the key properties of 6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 476.58 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).