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

C19H25N5O3 — CID 98335015

IUPAC(5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc2ncc(C(=O)N3CC[C@]4(CCCN(C(C)C)C4=O)C3)c(=O)n2[nH]1
InChIInChI=1S/C19H25N5O3/c1-12(2)23-7-4-5-19(18(23)27)6-8-22(11-19)16(25)14-10-20-15-9-13(3)21-24(15)17(14)26/h9-10,12,21H,4-8,11H2,1-3H3/t19-/m1/s1
InChIKeyYEVLEQYETZZTJE-LJQANCHMSA-N
MW371.44 g/mol
LogP1.19
Rot. Bonds2

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

(5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 98335015) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID98335015
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name(5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc2ncc(C(=O)N3CC[C@]4(CCCN(C(C)C)C4=O)C3)c(=O)n2[nH]1
InChIInChI=1S/C19H25N5O3/c1-12(2)23-7-4-5-19(18(23)27)6-8-22(11-19)16(25)14-10-20-15-9-13(3)21-24(15)17(14)26/h9-10,12,21H,4-8,11H2,1-3H3/t19-/m1/s1
InChIKeyYEVLEQYETZZTJE-LJQANCHMSA-N
XLogP1.19
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 98335015) is (5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is Cc1cc2ncc(C(=O)N3CC[C@]4(CCCN(C(C)C)C4=O)C3)c(=O)n2[nH]1.
What is the InChIKey of (5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YEVLEQYETZZTJE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12(2)23-7-4-5-19(18(23)27)6-8-22(11-19)16(25)14-10-20-15-9-13(3)21-24(15)17(14)26/h9-10,12,21H,4-8,11H2,1-3H3/t19-/m1/s1.
What are the key properties of (5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 371.44 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 98335015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).