(5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C18H24N6O3 — CID 98307942

IUPAC(5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc2ncc(C(=O)N3CC[C@@]4(CCCN(C(C)C)C4=O)C3)c(=O)n2[nH]1
InChIInChI=1S/C18H24N6O3/c1-11(2)23-7-4-5-18(16(23)27)6-8-22(10-18)14(25)13-9-19-17-20-12(3)21-24(17)15(13)26/h9,11H,4-8,10H2,1-3H3,(H,19,20,21)/t18-/m0/s1
InChIKeyBWLZKCLQOKQXQU-SFHVURJKSA-N
MW372.43 g/mol
LogP0.59
Rot. Bonds2

About (5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 98307942) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is (5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID98307942
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name(5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc2ncc(C(=O)N3CC[C@@]4(CCCN(C(C)C)C4=O)C3)c(=O)n2[nH]1
InChIInChI=1S/C18H24N6O3/c1-11(2)23-7-4-5-18(16(23)27)6-8-22(10-18)14(25)13-9-19-17-20-12(3)21-24(17)15(13)26/h9,11H,4-8,10H2,1-3H3,(H,19,20,21)/t18-/m0/s1
InChIKeyBWLZKCLQOKQXQU-SFHVURJKSA-N
XLogP0.59
TPSA103.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5S)-7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 98311284
2-methyl-6-{[4-(1-pyrrolidinylcarbonyl)-1-piperidinyl]carbonyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70728705
2-methyl-6-({2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}carbonyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70746157
2-methyl-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70752068
7-Isopropyl-2-[(2-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72878762
7-(Cyclopropylmethyl)-2-[(2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72882536
7-Isopropyl-2-[(2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72898379
7-(Cyclobutylmethyl)-2-[(7-hydroxy-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72912343
7-(Cyclobutylmethyl)-2-[(2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72915433
(5R)-7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97203972
(5S)-7-(cyclobutylmethyl)-2-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97203973
(5R)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 98307941

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 98307942) is (5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is Cc1nc2ncc(C(=O)N3CC[C@@]4(CCCN(C(C)C)C4=O)C3)c(=O)n2[nH]1.
What is the InChIKey of (5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BWLZKCLQOKQXQU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-11(2)23-7-4-5-18(16(23)27)6-8-22(10-18)14(25)13-9-19-17-20-12(3)21-24(17)15(13)26/h9,11H,4-8,10H2,1-3H3,(H,19,20,21)/t18-/m0/s1.
What are the key properties of (5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.43 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 98307942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).