1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione

C18H23N5O3 — CID 145188656

IUPAC1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione
SMILESCCc1cc(CCCn2c(=O)c3c(cnn3CC3CC3)n(C)c2=O)on1
InChIInChI=1S/C18H23N5O3/c1-3-13-9-14(26-20-13)5-4-8-22-17(24)16-15(21(2)18(22)25)10-19-23(16)11-12-6-7-12/h9-10,12H,3-8,11H2,1-2H3
InChIKeyZRHIBPLZDBZKFO-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.49
Rot. Bonds7

About 1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione

1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione (PubChem CID 145188656) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione
PubChem CID145188656
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione
SMILESCCc1cc(CCCn2c(=O)c3c(cnn3CC3CC3)n(C)c2=O)on1
InChIInChI=1S/C18H23N5O3/c1-3-13-9-14(26-20-13)5-4-8-22-17(24)16-15(21(2)18(22)25)10-19-23(16)11-12-6-7-12/h9-10,12H,3-8,11H2,1-2H3
InChIKeyZRHIBPLZDBZKFO-UHFFFAOYSA-N
XLogP1.49
TPSA87.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione with MolForge

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Related Compounds

1-(cyclopropylmethyl)-4-methyl-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione;6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-1-[(2-methylcyclopropyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione
CID 145188640
butane;7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]purine-2,6-dione
CID 145188695
3-[4-(3-cyclopentyl-1,2-oxazol-5-yl)butyl]-1-methylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 134536396
8-bromo-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methylquinazoline-2,4-dione
CID 145096884
3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione
CID 134557397
1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione
CID 59057360
3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-7-(2-methylpentyl)purine-2,6-dione
CID 134381879
2-(cyclopropylmethyl)-5-methylpyridazin-3-one
CID 131020040
ethyl 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetate
CID 70943290
1-[(4-aminocyclohexyl)methyl]-3-methylbenzimidazol-2-one
CID 67339990
8-chloro-1-(cyclopropylmethyl)-3,7-dimethylpurine-2,6-dione
CID 153298083
6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione
CID 69197514

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione (CID 145188656) is 1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione is CCc1cc(CCCn2c(=O)c3c(cnn3CC3CC3)n(C)c2=O)on1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione?
The InChIKey is ZRHIBPLZDBZKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-13-9-14(26-20-13)5-4-8-22-17(24)16-15(21(2)18(22)25)10-19-23(16)11-12-6-7-12/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione?
1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione has a molecular weight of 357.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]-4-methylpyrazolo[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 145188656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).