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

C19H27N5O2 — CID 72921916

IUPAC2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc2nc(CN3CCC4(CCCN(C(C)C)C4=O)C3)cc(=O)n2[nH]1
InChIInChI=1S/C19H27N5O2/c1-13(2)23-7-4-5-19(18(23)26)6-8-22(12-19)11-15-10-17(25)24-16(20-15)9-14(3)21-24/h9-10,13,21H,4-8,11-12H2,1-3H3
InChIKeyDQJSGDBVNTUQRQ-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.55
Rot. Bonds3

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

2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72921916) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72921916
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc2nc(CN3CCC4(CCCN(C(C)C)C4=O)C3)cc(=O)n2[nH]1
InChIInChI=1S/C19H27N5O2/c1-13(2)23-7-4-5-19(18(23)26)6-8-22(12-19)11-15-10-17(25)24-16(20-15)9-14(3)21-24/h9-10,13,21H,4-8,11-12H2,1-3H3
InChIKeyDQJSGDBVNTUQRQ-UHFFFAOYSA-N
XLogP1.55
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72921916) is 2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is Cc1cc2nc(CN3CCC4(CCCN(C(C)C)C4=O)C3)cc(=O)n2[nH]1.
What is the InChIKey of 2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DQJSGDBVNTUQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(2)23-7-4-5-19(18(23)26)6-8-22(12-19)11-15-10-17(25)24-16(20-15)9-14(3)21-24/h9-10,13,21H,4-8,11-12H2,1-3H3.
What are the key properties of 2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 357.46 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72921916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).