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

C24H28N6O3 — CID 5330303

IUPAC6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCOCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H28N6O3/c1-15-19-14-26-24(27-20-8-7-18(13-25-20)29-9-11-33-12-10-29)28-22(19)30(17-5-3-4-6-17)23(32)21(15)16(2)31/h7-8,13-14,17H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
InChIKeyGGNIULHSXFVFEY-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.39
Rot. Bonds5

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

6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330303) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330303
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCOCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H28N6O3/c1-15-19-14-26-24(27-20-8-7-18(13-25-20)29-9-11-33-12-10-29)28-22(19)30(17-5-3-4-6-17)23(32)21(15)16(2)31/h7-8,13-14,17H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
InChIKeyGGNIULHSXFVFEY-UHFFFAOYSA-N
XLogP3.39
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]benzaldehyde
CID 129276161
acetic acid;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 175123063
6-acetyl-2-[[5-[4-(4-acetylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 118699829
6-acetyl-2-[[5-(3-aminopyrrolidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330299
3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]cyclobutane-1-carboxylic acid
CID 178071364
1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]azetidin-3-yl]piperidine-4-carboxylic acid
CID 118699885
6-acetyl-8-cyclopentyl-2-[[5-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 171358775
6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione
CID 170586358
N-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonyloxolane-2-carboxamide
CID 170311118
phenyl 4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 178071479
6-acetyl-5-methyl-8-(3,3,4,4-tetradeuteriocyclopentyl)-2-[[5-(3,3,5,5-tetradeuteriopiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 86297198

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 5330303) is 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCOCC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GGNIULHSXFVFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-15-19-14-26-24(27-20-8-7-18(13-25-20)29-9-11-33-12-10-29)28-22(19)30(17-5-3-4-6-17)23(32)21(15)16(2)31/h7-8,13-14,17H,3-6,9-12H2,1-2H3,(H,25,26,27,28).
What are the key properties of 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 448.53 g/mol, XLogP of 3.39, 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-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).