2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H29N5O4S — CID 110214877

IUPAC2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCCN3C(=O)CN(C)C3CCS(=O)(=O)C3)[nH]n2c1=O
InChIInChI=1S/C20H29N5O4S/c1-4-15-13(2)21-18-10-16(22-25(18)20(15)27)17-6-5-8-24(17)19(26)11-23(3)14-7-9-30(28,29)12-14/h10,14,17,22H,4-9,11-12H2,1-3H3
InChIKeyCBZWDKOXBMQHOA-UHFFFAOYSA-N
MW435.55 g/mol
LogP0.68
Rot. Bonds5

About 2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110214877) has the molecular formula C20H29N5O4S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110214877
Molecular FormulaC20H29N5O4S
Molecular Weight435.55 g/mol
Exact Mass435.19
IUPAC Name2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCCN3C(=O)CN(C)C3CCS(=O)(=O)C3)[nH]n2c1=O
InChIInChI=1S/C20H29N5O4S/c1-4-15-13(2)21-18-10-16(22-25(18)20(15)27)17-6-5-8-24(17)19(26)11-23(3)14-7-9-30(28,29)12-14/h10,14,17,22H,4-9,11-12H2,1-3H3
InChIKeyCBZWDKOXBMQHOA-UHFFFAOYSA-N
XLogP0.68
TPSA107.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 94397674
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 94397675
6-ethyl-5-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216122
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 127477504
2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214874
6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214668
N-cyclopentyl-3-[2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110087985
5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214720
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2S)-2-phenylazetidin-1-yl]ethanone
CID 94468019
6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 114514317
2-tert-butyl-5-[(3S)-1-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetyl]pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98063658
2-[1-[2-(dimethylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214681

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110214877) is 2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(C3CCCN3C(=O)CN(C)C3CCS(=O)(=O)C3)[nH]n2c1=O.
What is the InChIKey of 2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CBZWDKOXBMQHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4S/c1-4-15-13(2)21-18-10-16(22-25(18)20(15)27)17-6-5-8-24(17)19(26)11-23(3)14-7-9-30(28,29)12-14/h10,14,17,22H,4-9,11-12H2,1-3H3.
What are the key properties of 2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 435.55 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110214877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).