ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

C22H26FN5O2 — CID 153044595

IUPACethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3CCCN)cc12
InChIInChI=1S/C22H26FN5O2/c1-2-30-22(29)18-14-26-28-10-7-16(12-21(18)28)27-9-4-6-20(27)17-11-15(23)13-25-19(17)5-3-8-24/h7,10-14,20H,2-6,8-9,24H2,1H3/t20-/m1/s1
InChIKeyVGIYCVBLKABMMF-HXUWFJFHSA-N
MW411.48 g/mol
LogP3.28
Rot. Bonds7

About ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 153044595) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID153044595
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Nameethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3CCCN)cc12
InChIInChI=1S/C22H26FN5O2/c1-2-30-22(29)18-14-26-28-10-7-16(12-21(18)28)27-9-4-6-20(27)17-11-15(23)13-25-19(17)5-3-8-24/h7,10-14,20H,2-6,8-9,24H2,1H3/t20-/m1/s1
InChIKeyVGIYCVBLKABMMF-HXUWFJFHSA-N
XLogP3.28
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 153044595) is ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3CCCN)cc12.
What is the InChIKey of ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is VGIYCVBLKABMMF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-2-30-22(29)18-14-26-28-10-7-16(12-21(18)28)27-9-4-6-20(27)17-11-15(23)13-25-19(17)5-3-8-24/h7,10-14,20H,2-6,8-9,24H2,1H3/t20-/m1/s1.
What are the key properties of ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 153044595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).