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

C20H25N5O3 — CID 72882536

IUPAC7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc2ncc(C(=O)N3CCC4(CCCN(CC5CC5)C4=O)C3)c(=O)n2[nH]1
InChIInChI=1S/C20H25N5O3/c1-13-9-16-21-10-15(18(27)25(16)22-13)17(26)24-8-6-20(12-24)5-2-7-23(19(20)28)11-14-3-4-14/h9-10,14,22H,2-8,11-12H2,1H3
InChIKeyJIHRNPKDQCQUNN-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.20
Rot. Bonds3

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

7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72882536) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72882536
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc2ncc(C(=O)N3CCC4(CCCN(CC5CC5)C4=O)C3)c(=O)n2[nH]1
InChIInChI=1S/C20H25N5O3/c1-13-9-16-21-10-15(18(27)25(16)22-13)17(26)24-8-6-20(12-24)5-2-7-23(19(20)28)11-14-3-4-14/h9-10,14,22H,2-8,11-12H2,1H3
InChIKeyJIHRNPKDQCQUNN-UHFFFAOYSA-N
XLogP1.20
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72882536) is 7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc2ncc(C(=O)N3CCC4(CCCN(CC5CC5)C4=O)C3)c(=O)n2[nH]1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JIHRNPKDQCQUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-9-16-21-10-15(18(27)25(16)22-13)17(26)24-8-6-20(12-24)5-2-7-23(19(20)28)11-14-3-4-14/h9-10,14,22H,2-8,11-12H2,1H3.
What are the key properties of 7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 383.45 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72882536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).