7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane

C28H34N6O4 — CID 172621538

IUPAC7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane
SMILESCC(=O)c1cc2cnc(Nc3cnc4c(=O)cc(N5CCOCC5)oc4c3)nc2n1C1CCCC1.CCC
InChIInChI=1S/C25H26N6O4.C3H8/c1-15(32)19-10-16-13-27-25(29-24(16)31(19)18-4-2-3-5-18)28-17-11-21-23(26-14-17)20(33)12-22(35-21)30-6-8-34-9-7-30;1-3-2/h10-14,18H,2-9H2,1H3,(H,27,28,29);3H2,1-2H3
InChIKeyHZCKQJJOPDCAOB-UHFFFAOYSA-N
MW518.62 g/mol
LogP5.25
Rot. Bonds5

About 7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane

7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane (PubChem CID 172621538) has the molecular formula C28H34N6O4 and a molecular weight of 518.62 g/mol. Its IUPAC name is 7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane.

Molecular Properties

Compound Name7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane
PubChem CID172621538
Molecular FormulaC28H34N6O4
Molecular Weight518.62 g/mol
Exact Mass518.26
IUPAC Name7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane
SMILESCC(=O)c1cc2cnc(Nc3cnc4c(=O)cc(N5CCOCC5)oc4c3)nc2n1C1CCCC1.CCC
InChIInChI=1S/C25H26N6O4.C3H8/c1-15(32)19-10-16-13-27-25(29-24(16)31(19)18-4-2-3-5-18)28-17-11-21-23(26-14-17)20(33)12-22(35-21)30-6-8-34-9-7-30;1-3-2/h10-14,18H,2-9H2,1H3,(H,27,28,29);3H2,1-2H3
InChIKeyHZCKQJJOPDCAOB-UHFFFAOYSA-N
XLogP5.25
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane with MolForge

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Launch Full Analysis

Related Compounds

8-[5-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-6-hydroxy-2-morpholin-4-ylchromen-4-one;ethane
CID 172621453
7-[4-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]-2-piperazin-1-ylchromen-4-one;butane;ethane
CID 172621464
7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 153289434
tert-butyl 3-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzoate
CID 151417553
7-cyclopentyl-2-[3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 135275912
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
acetaldehyde;7-[(7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-2-morpholin-4-ylchromen-4-one;ethane;2-methylbutane
CID 172621359
2-(4-acetamidoanilino)-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178155437
(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone
CID 178155447
bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate
CID 159583570
7-cyclopentyl-N-phenyl-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 163216288
N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide
CID 22329966

Frequently Asked Questions

What is the IUPAC name of 7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane?
The IUPAC name of 7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane (CID 172621538) is 7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane.
What is the SMILES notation for 7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane?
The canonical SMILES for 7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane is CC(=O)c1cc2cnc(Nc3cnc4c(=O)cc(N5CCOCC5)oc4c3)nc2n1C1CCCC1.CCC.
What is the InChIKey of 7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane?
The InChIKey is HZCKQJJOPDCAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4.C3H8/c1-15(32)19-10-16-13-27-25(29-24(16)31(19)18-4-2-3-5-18)28-17-11-21-23(26-14-17)20(33)12-22(35-21)30-6-8-34-9-7-30;1-3-2/h10-14,18H,2-9H2,1H3,(H,27,28,29);3H2,1-2H3.
What are the key properties of 7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane?
7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane has a molecular weight of 518.62 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane is sourced from PubChem (CID 172621538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).