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

C21H26FN7O2 — CID 155379764

IUPACethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCCN3c3cc(F)cnc3CC[C@@H](C)N)nc12
InChIInChI=1S/C21H26FN7O2/c1-3-31-21(30)16-13-25-27-10-7-19(26-20(16)27)29-9-4-8-28(29)18-11-15(22)12-24-17(18)6-5-14(2)23/h7,10-14H,3-6,8-9,23H2,1-2H3/t14-/m1/s1
InChIKeyHPQWDAMYUKLUDO-CQSZACIVSA-N
MW427.48 g/mol
LogP2.35
Rot. Bonds7

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

ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 155379764) has the molecular formula C21H26FN7O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID155379764
Molecular FormulaC21H26FN7O2
Molecular Weight427.48 g/mol
Exact Mass427.21
IUPAC Nameethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCCN3c3cc(F)cnc3CC[C@@H](C)N)nc12
InChIInChI=1S/C21H26FN7O2/c1-3-31-21(30)16-13-25-27-10-7-19(26-20(16)27)29-9-4-8-28(29)18-11-15(22)12-24-17(18)6-5-14(2)23/h7,10-14H,3-6,8-9,23H2,1-2H3/t14-/m1/s1
InChIKeyHPQWDAMYUKLUDO-CQSZACIVSA-N
XLogP2.35
TPSA101.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 155379764) is ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(N3CCCN3c3cc(F)cnc3CC[C@@H](C)N)nc12.
What is the InChIKey of ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is HPQWDAMYUKLUDO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26FN7O2/c1-3-31-21(30)16-13-25-27-10-7-19(26-20(16)27)29-9-4-8-28(29)18-11-15(22)12-24-17(18)6-5-14(2)23/h7,10-14H,3-6,8-9,23H2,1-2H3/t14-/m1/s1.
What are the key properties of ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 427.48 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 155379764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).