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

C19H24F2N6O2 — CID 91319623

IUPAC(3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@H](N2CCN(c3nc4cccnc4o3)CC2)C1)N1CCC(F)(F)C1
InChIInChI=1S/C19H24F2N6O2/c20-19(21)4-7-27(13-19)18(28)26-6-3-14(12-26)24-8-10-25(11-9-24)17-23-15-2-1-5-22-16(15)29-17/h1-2,5,14H,3-4,6-13H2/t14-/m0/s1
InChIKeyHOEVRTDDWACGHU-AWEZNQCLSA-N
MW406.44 g/mol
LogP1.88
Rot. Bonds2

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

(3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone (PubChem CID 91319623) has the molecular formula C19H24F2N6O2 and a molecular weight of 406.44 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
PubChem CID91319623
Molecular FormulaC19H24F2N6O2
Molecular Weight406.44 g/mol
Exact Mass406.19
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@H](N2CCN(c3nc4cccnc4o3)CC2)C1)N1CCC(F)(F)C1
InChIInChI=1S/C19H24F2N6O2/c20-19(21)4-7-27(13-19)18(28)26-6-3-14(12-26)24-8-10-25(11-9-24)17-23-15-2-1-5-22-16(15)29-17/h1-2,5,14H,3-4,6-13H2/t14-/m0/s1
InChIKeyHOEVRTDDWACGHU-AWEZNQCLSA-N
XLogP1.88
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-Oxazolo[5,4-b]pyridin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 10881940
4-Oxazolo[5,4-b]pyridin-2-yl-1,4-diazabicyclo[3.2.2]nonane
CID 11447932
cis-(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(oxazolo[4,5-c]pyridin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 11538715
cis-(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 11596607
5-Fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44552727
5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine
CID 44555284
cis-((2S,4S)-4-(4-(benzo[d]oxazol-2-yl)piperazin-1-yl)pyrrolidin-2-yl)(3,3-difluoropyrrolidin-1-yl)methanone
CID 44565845
cis-(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565869
2-(6-Chlorooxazolo[5,4-b]pyridin-2-yl)-2,5-diazabicyclo[3.2.2]-nonane
CID 46180746
2-(1,4-Diazabicyclo[3.2.2]nonan-4-yl)-5-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 46180747
Oxazolo[5,4-b]pyridin-2-amine
CID 18671456
1-[(3S)-4-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-methylpiperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 155161505

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone (CID 91319623) is (3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone is O=C(N1CC[C@H](N2CCN(c3nc4cccnc4o3)CC2)C1)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone?
The InChIKey is HOEVRTDDWACGHU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24F2N6O2/c20-19(21)4-7-27(13-19)18(28)26-6-3-14(12-26)24-8-10-25(11-9-24)17-23-15-2-1-5-22-16(15)29-17/h1-2,5,14H,3-4,6-13H2/t14-/m0/s1.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone?
(3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone has a molecular weight of 406.44 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91319623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).