2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one

C18H16FN5O2S — CID 176706302

IUPAC2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one
SMILESCc1ncc(N2Cc3nc(-c4ccc(N5CCC(F)C5)nc4)oc3C2=O)s1
InChIInChI=1S/C18H16FN5O2S/c1-10-20-7-15(27-10)24-9-13-16(18(24)25)26-17(22-13)11-2-3-14(21-6-11)23-5-4-12(19)8-23/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyHBOCVXQJGXDUAL-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.21
Rot. Bonds3

About 2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one

2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one (PubChem CID 176706302) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one.

Molecular Properties

Compound Name2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one
PubChem CID176706302
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one
SMILESCc1ncc(N2Cc3nc(-c4ccc(N5CCC(F)C5)nc4)oc3C2=O)s1
InChIInChI=1S/C18H16FN5O2S/c1-10-20-7-15(27-10)24-9-13-16(18(24)25)26-17(22-13)11-2-3-14(21-6-11)23-5-4-12(19)8-23/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyHBOCVXQJGXDUAL-UHFFFAOYSA-N
XLogP3.21
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one with MolForge

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Related Compounds

1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
CID 146272225
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride
CID 172915744
2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548729
5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 174034328
6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 165460442
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168786987
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837094
3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037167
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide
CID 171545627
1-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
CID 172595362

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one?
The IUPAC name of 2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one (CID 176706302) is 2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one.
What is the SMILES notation for 2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one?
The canonical SMILES for 2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one is Cc1ncc(N2Cc3nc(-c4ccc(N5CCC(F)C5)nc4)oc3C2=O)s1.
What is the InChIKey of 2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one?
The InChIKey is HBOCVXQJGXDUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-10-20-7-15(27-10)24-9-13-16(18(24)25)26-17(22-13)11-2-3-14(21-6-11)23-5-4-12(19)8-23/h2-3,6-7,12H,4-5,8-9H2,1H3.
What are the key properties of 2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one?
2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one has a molecular weight of 385.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one is sourced from PubChem (CID 176706302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).