(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 68810007

IUPAC(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)N1CCC(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-DSUHRAPHSA-N
MW388.45 g/mol
LogP0.65
Rot. Bonds3

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

(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 68810007) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is (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(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 CID68810007
Molecular FormulaC19H25FN6O2
Molecular Weight388.45 g/mol
Exact Mass388.20
IUPAC Name(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)N1CCC(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-DSUHRAPHSA-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

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Frequently Asked Questions

What is the IUPAC name of (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 (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 68810007) is (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 (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 (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)N1CCC(F)C1.
What is the InChIKey of (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-DSUHRAPHSA-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 (3-fluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone?
(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 (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 68810007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).