[(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone

C19H25FN6O2 — CID 11710811

IUPAC[(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](N2CCN(c3nc4cccnc4o3)CC2)CN1)N1CC[C@H](F)C1
InChIInChI=1S/C19H25FN6O2/c20-13-3-5-26(12-13)18(27)16-10-14(11-22-16)24-6-8-25(9-7-24)19-23-15-2-1-4-21-17(15)28-19/h1-2,4,13-14,16,22H,3,5-12H2/t13-,14-,16-/m0/s1
InChIKeyNUADNRLDDYWXEN-DZKIICNBSA-N
MW388.45 g/mol
LogP0.65
Rot. Bonds3

About [(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone

[(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone (PubChem CID 11710811) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is [(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
PubChem CID11710811
Molecular FormulaC19H25FN6O2
Molecular Weight388.45 g/mol
Exact Mass388.20
IUPAC Name[(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](N2CCN(c3nc4cccnc4o3)CC2)CN1)N1CC[C@H](F)C1
InChIInChI=1S/C19H25FN6O2/c20-13-3-5-26(12-13)18(27)16-10-14(11-22-16)24-6-8-25(9-7-24)19-23-15-2-1-4-21-17(15)28-19/h1-2,4,13-14,16,22H,3,5-12H2/t13-,14-,16-/m0/s1
InChIKeyNUADNRLDDYWXEN-DZKIICNBSA-N
XLogP0.65
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone 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 [(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone?
The IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone (CID 11710811) is [(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone?
The canonical SMILES for [(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone is O=C([C@@H]1C[C@H](N2CCN(c3nc4cccnc4o3)CC2)CN1)N1CC[C@H](F)C1.
What is the InChIKey of [(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone?
The InChIKey is NUADNRLDDYWXEN-DZKIICNBSA-N. The full InChI is InChI=1S/C19H25FN6O2/c20-13-3-5-26(12-13)18(27)16-10-14(11-22-16)24-6-8-25(9-7-24)19-23-15-2-1-4-21-17(15)28-19/h1-2,4,13-14,16,22H,3,5-12H2/t13-,14-,16-/m0/s1.
What are the key properties of [(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone?
[(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone has a molecular weight of 388.45 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 11710811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).