ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C23H26FN5O2 — CID 157265002

IUPACethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3/C=C/C(C)C)nc12
InChIInChI=1S/C23H26FN5O2/c1-4-31-23(30)17-14-26-29-11-9-19(27-22(17)29)20-6-5-10-28(20)21-12-16(24)13-25-18(21)8-7-15(2)3/h7-9,11-15,20H,4-6,10H2,1-3H3/b8-7+
InChIKeyZMDNISZNFSLSBT-BQYQJAHWSA-N
MW423.49 g/mol
LogP4.45
Rot. Bonds6

About ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 157265002) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID157265002
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Nameethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3/C=C/C(C)C)nc12
InChIInChI=1S/C23H26FN5O2/c1-4-31-23(30)17-14-26-29-11-9-19(27-22(17)29)20-6-5-10-28(20)21-12-16(24)13-25-18(21)8-7-15(2)3/h7-9,11-15,20H,4-6,10H2,1-3H3/b8-7+
InChIKeyZMDNISZNFSLSBT-BQYQJAHWSA-N
XLogP4.45
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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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
5-[2-(2-fluoro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67775738
5-[2-(2-fluoro-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67776672
Methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655
Ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 822828
US10829492, Example 1
CID 134480271
US10829492, Example 5
CID 134480294
US10829492, Example 35
CID 134480308
1-methyl-5-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid ethyl ester
CID 89464721
ethyl 4-{[4-(dimethylamino)phenyl]amino}-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate
CID 662147
Ethyl 5-amino-1-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
CID 1988334
Ethyl 5-methyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 17079438

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 157265002) is ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3/C=C/C(C)C)nc12.
What is the InChIKey of ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is ZMDNISZNFSLSBT-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-4-31-23(30)17-14-26-29-11-9-19(27-22(17)29)20-6-5-10-28(20)21-12-16(24)13-25-18(21)8-7-15(2)3/h7-9,11-15,20H,4-6,10H2,1-3H3/b8-7+.
What are the key properties of ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 423.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 157265002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).