1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one

C23H29N7O5 — CID 166085482

IUPAC1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
SMILESCC(C)(O)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2c2nc(N)c3nc(-c4ccco4)oc3n2)CC1
InChIInChI=1S/C23H29N7O5/c1-23(2,33)13-16(31)28-8-10-29(11-9-28)21(32)14-5-3-7-30(14)22-26-18(24)17-20(27-22)35-19(25-17)15-6-4-12-34-15/h4,6,12,14,33H,3,5,7-11,13H2,1-2H3,(H2,24,26,27)/t14-/m0/s1
InChIKeyHAWQVWVYCOJEHG-AWEZNQCLSA-N
MW483.53 g/mol
LogP1.26
Rot. Bonds5

About 1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one

1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one (PubChem CID 166085482) has the molecular formula C23H29N7O5 and a molecular weight of 483.53 g/mol. Its IUPAC name is 1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
PubChem CID166085482
Molecular FormulaC23H29N7O5
Molecular Weight483.53 g/mol
Exact Mass483.22
IUPAC Name1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
SMILESCC(C)(O)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2c2nc(N)c3nc(-c4ccco4)oc3n2)CC1
InChIInChI=1S/C23H29N7O5/c1-23(2,33)13-16(31)28-8-10-29(11-9-28)21(32)14-5-3-7-30(14)22-26-18(24)17-20(27-22)35-19(25-17)15-6-4-12-34-15/h4,6,12,14,33H,3,5,7-11,13H2,1-2H3,(H2,24,26,27)/t14-/m0/s1
InChIKeyHAWQVWVYCOJEHG-AWEZNQCLSA-N
XLogP1.26
TPSA155.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one with MolForge

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Related Compounds

[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidin-2-yl]-[4-(2,2-difluorobutyl)piperazin-1-yl]methanone
CID 166085414
1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 166085464
[(2S)-1-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]pyrrolidin-2-yl]-[4-[(1-methylcyclobutyl)methyl]piperazin-1-yl]methanone
CID 174296304
[(2S)-1-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]pyrrolidin-2-yl]-(4-ethyl-1,4-diazepan-1-yl)methanone
CID 174296292
[(2R)-1-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]pyrrolidin-2-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 171744961
[(2S)-1-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]pyrrolidin-2-yl]-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]methanone
CID 171744737
4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]pyrrolidine-2-carbonyl]-1-(4-fluorophenyl)piperazin-2-one
CID 171744722
4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]pyrrolidine-2-carbonyl]-N-pyrazin-2-ylpiperazine-1-carboxamide
CID 171744916
[(2S)-1-[7-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]pyrrolidin-2-yl]-[4-(2,2-difluoropropyl)piperazin-1-yl]methanone
CID 171744814
[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 95583386
[(2R)-1-(2-tert-butylpyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 96528565
[(2S)-1-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]azetidin-2-yl]-[4-(2,2-difluoroethyl)piperazin-1-yl]methanone
CID 171744767

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one?
The IUPAC name of 1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one (CID 166085482) is 1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one is CC(C)(O)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2c2nc(N)c3nc(-c4ccco4)oc3n2)CC1.
What is the InChIKey of 1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one?
The InChIKey is HAWQVWVYCOJEHG-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H29N7O5/c1-23(2,33)13-16(31)28-8-10-29(11-9-28)21(32)14-5-3-7-30(14)22-26-18(24)17-20(27-22)35-19(25-17)15-6-4-12-34-15/h4,6,12,14,33H,3,5,7-11,13H2,1-2H3,(H2,24,26,27)/t14-/m0/s1.
What are the key properties of 1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one?
1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one has a molecular weight of 483.53 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 166085482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).