ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C29H28FN7O5 — CID 142589615

IUPACethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCCN3c3cc(F)cn(CC[C@@H](C)N4C(=O)c5ccccc5C4=O)c3=O)nc12
InChIInChI=1S/C29H28FN7O5/c1-3-42-29(41)22-16-31-34-14-10-24(32-25(22)34)36-12-6-11-35(36)23-15-19(30)17-33(28(23)40)13-9-18(2)37-26(38)20-7-4-5-8-21(20)27(37)39/h4-5,7-8,10,14-18H,3,6,9,11-13H2,1-2H3/t18-/m1/s1
InChIKeyCPFVWZPGOYEBOG-GOSISDBHSA-N
MW573.59 g/mol
LogP2.91
Rot. Bonds8

About ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 142589615) has the molecular formula C29H28FN7O5 and a molecular weight of 573.59 g/mol. Its IUPAC name is ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID142589615
Molecular FormulaC29H28FN7O5
Molecular Weight573.59 g/mol
Exact Mass573.21
IUPAC Nameethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCCN3c3cc(F)cn(CC[C@@H](C)N4C(=O)c5ccccc5C4=O)c3=O)nc12
InChIInChI=1S/C29H28FN7O5/c1-3-42-29(41)22-16-31-34-14-10-24(32-25(22)34)36-12-6-11-35(36)23-15-19(30)17-33(28(23)40)13-9-18(2)37-26(38)20-7-4-5-8-21(20)27(37)39/h4-5,7-8,10,14-18H,3,6,9,11-13H2,1-2H3/t18-/m1/s1
InChIKeyCPFVWZPGOYEBOG-GOSISDBHSA-N
XLogP2.91
TPSA122.35 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.59
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate 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

5-[2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67774601
US10829492, Example 43
CID 134480279
US10988478, Example 553
CID 129297760
US10988478, Example 554
CID 129297762
Ethyl 1-methyl-5-[methyl-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 165415241
2-(2-Oxopyrrolidin-1-yl)ethyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45924883
Ethyl 7-[3-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24968939
5-[2-[5-Fluoro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56944182
5-[2-[5-Fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56944184
5-[2-[2-(Dimethylcarbamoyl)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56944185
ethyl 5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 56944760
Ethyl 5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 56944761

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 142589615) is ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(N3CCCN3c3cc(F)cn(CC[C@@H](C)N4C(=O)c5ccccc5C4=O)c3=O)nc12.
What is the InChIKey of ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is CPFVWZPGOYEBOG-GOSISDBHSA-N. The full InChI is InChI=1S/C29H28FN7O5/c1-3-42-29(41)22-16-31-34-14-10-24(32-25(22)34)36-12-6-11-35(36)23-15-19(30)17-33(28(23)40)13-9-18(2)37-26(38)20-7-4-5-8-21(20)27(37)39/h4-5,7-8,10,14-18H,3,6,9,11-13H2,1-2H3/t18-/m1/s1.
What are the key properties of ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 573.59 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[1-[(3R)-3-(1,3-dioxoisoindol-2-yl)butyl]-5-fluoro-2-oxo-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 142589615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).