2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H25N5O3 — CID 72939437

IUPAC2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cc2ncc(C(=O)N3CCCC4(CCC(=O)N(C5CC5)C4)C3)c(=O)n2[nH]1
InChIInChI=1S/C20H25N5O3/c1-13-9-16-21-10-15(19(28)25(16)22-13)18(27)23-8-2-6-20(11-23)7-5-17(26)24(12-20)14-3-4-14/h9-10,14,22H,2-8,11-12H2,1H3
InChIKeyYVLZUCNGWDAPKY-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.34
Rot. Bonds2

About 2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72939437) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72939437
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cc2ncc(C(=O)N3CCCC4(CCC(=O)N(C5CC5)C4)C3)c(=O)n2[nH]1
InChIInChI=1S/C20H25N5O3/c1-13-9-16-21-10-15(19(28)25(16)22-13)18(27)23-8-2-6-20(11-23)7-5-17(26)24(12-20)14-3-4-14/h9-10,14,22H,2-8,11-12H2,1H3
InChIKeyYVLZUCNGWDAPKY-UHFFFAOYSA-N
XLogP1.34
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-Ethyl-8-[(2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70723851
2-Cyclopropyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70727533
2-(Cyclopropylmethyl)-8-[(2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70760726
2-Ethyl-9-[(2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70765125
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-[(2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72915433
(6S)-2-cyclopropyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96376296
(6R)-2-cyclopropyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96376297
(6S)-2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 98286132
(6R)-2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 98286134

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72939437) is 2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1cc2ncc(C(=O)N3CCCC4(CCC(=O)N(C5CC5)C4)C3)c(=O)n2[nH]1.
What is the InChIKey of 2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is YVLZUCNGWDAPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-9-16-21-10-15(19(28)25(16)22-13)18(27)23-8-2-6-20(11-23)7-5-17(26)24(12-20)14-3-4-14/h9-10,14,22H,2-8,11-12H2,1H3.
What are the key properties of 2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 383.45 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72939437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).