5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C26H32N8O2 — CID 138487948

IUPAC5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1C(=O)Nc2ncnc(N3CCC(c4nc(-c5ncco5)ccc4NCCN4CCCC4)CC3)c21
InChIInChI=1S/C26H32N8O2/c1-17-21-23(32-25(17)35)29-16-30-24(21)34-12-6-18(7-13-34)22-19(27-8-14-33-10-2-3-11-33)4-5-20(31-22)26-28-9-15-36-26/h4-5,9,15-18,27H,2-3,6-8,10-14H2,1H3,(H,29,30,32,35)
InChIKeyQSTCFOHPMVKXGZ-UHFFFAOYSA-N
MW488.60 g/mol
LogP3.47
Rot. Bonds7

About 5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 138487948) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID138487948
Molecular FormulaC26H32N8O2
Molecular Weight488.60 g/mol
Exact Mass488.26
IUPAC Name5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1C(=O)Nc2ncnc(N3CCC(c4nc(-c5ncco5)ccc4NCCN4CCCC4)CC3)c21
InChIInChI=1S/C26H32N8O2/c1-17-21-23(32-25(17)35)29-16-30-24(21)34-12-6-18(7-13-34)22-19(27-8-14-33-10-2-3-11-33)4-5-20(31-22)26-28-9-15-36-26/h4-5,9,15-18,27H,2-3,6-8,10-14H2,1H3,(H,29,30,32,35)
InChIKeyQSTCFOHPMVKXGZ-UHFFFAOYSA-N
XLogP3.47
TPSA112.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 138487948) is 5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is CC1C(=O)Nc2ncnc(N3CCC(c4nc(-c5ncco5)ccc4NCCN4CCCC4)CC3)c21.
What is the InChIKey of 5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is QSTCFOHPMVKXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2/c1-17-21-23(32-25(17)35)29-16-30-24(21)34-12-6-18(7-13-34)22-19(27-8-14-33-10-2-3-11-33)4-5-20(31-22)26-28-9-15-36-26/h4-5,9,15-18,27H,2-3,6-8,10-14H2,1H3,(H,29,30,32,35).
What are the key properties of 5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 488.60 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-[6-(1,3-oxazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 138487948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).