(5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C19H25N5O2 — CID 97145549

IUPAC(5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1noc2ncnc(N3CC[C@]4(CCCN(CC5CCC5)C4=O)C3)c12
InChIInChI=1S/C19H25N5O2/c1-13-15-16(20-12-21-17(15)26-22-13)24-9-7-19(11-24)6-3-8-23(18(19)25)10-14-4-2-5-14/h12,14H,2-11H2,1H3/t19-/m1/s1
InChIKeyUCCFCYMASJABTH-LJQANCHMSA-N
MW355.44 g/mol
LogP2.55
Rot. Bonds3

About (5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97145549) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97145549
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1noc2ncnc(N3CC[C@]4(CCCN(CC5CCC5)C4=O)C3)c12
InChIInChI=1S/C19H25N5O2/c1-13-15-16(20-12-21-17(15)26-22-13)24-9-7-19(11-24)6-3-8-23(18(19)25)10-14-4-2-5-14/h12,14H,2-11H2,1H3/t19-/m1/s1
InChIKeyUCCFCYMASJABTH-LJQANCHMSA-N
XLogP2.55
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5R)-7-(cyclopropylmethyl)-2-(5,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97142044
7-(cyclopropylmethyl)-2-(5,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72909219
(5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97154315
2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
CID 97127606
2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
CID 97127607
2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile
CID 97151257
(5S)-7-(cyclobutylmethyl)-2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97141091
6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid
CID 97122101
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844843
2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 70725204
(4S)-4-[(dimethylamino)methyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol
CID 95729864

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97145549) is (5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1noc2ncnc(N3CC[C@]4(CCCN(CC5CCC5)C4=O)C3)c12.
What is the InChIKey of (5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UCCFCYMASJABTH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-15-16(20-12-21-17(15)26-22-13)24-9-7-19(11-24)6-3-8-23(18(19)25)10-14-4-2-5-14/h12,14H,2-11H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 355.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97145549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).