4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one

C19H24FN5O — CID 123617331

IUPAC4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCN1C(=O)N(Cc2cccc(F)c2)C(N2CCC[C@@H](N)C2)=C2C=CNC21
InChIInChI=1S/C19H24FN5O/c1-23-17-16(7-8-22-17)18(24-9-3-6-15(21)12-24)25(19(23)26)11-13-4-2-5-14(20)10-13/h2,4-5,7-8,10,15,17,22H,3,6,9,11-12,21H2,1H3/t15-,17?/m1/s1
InChIKeyGQVCWJWUUCSOSC-LDCVWXEPSA-N
MW357.43 g/mol
LogP1.77
Rot. Bonds3

About 4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one

4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 123617331) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID123617331
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCN1C(=O)N(Cc2cccc(F)c2)C(N2CCC[C@@H](N)C2)=C2C=CNC21
InChIInChI=1S/C19H24FN5O/c1-23-17-16(7-8-22-17)18(24-9-3-6-15(21)12-24)25(19(23)26)11-13-4-2-5-14(20)10-13/h2,4-5,7-8,10,15,17,22H,3,6,9,11-12,21H2,1H3/t15-,17?/m1/s1
InChIKeyGQVCWJWUUCSOSC-LDCVWXEPSA-N
XLogP1.77
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one (CID 123617331) is 4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one is CN1C(=O)N(Cc2cccc(F)c2)C(N2CCC[C@@H](N)C2)=C2C=CNC21.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is GQVCWJWUUCSOSC-LDCVWXEPSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-23-17-16(7-8-22-17)18(24-9-3-6-15(21)12-24)25(19(23)26)11-13-4-2-5-14(20)10-13/h2,4-5,7-8,10,15,17,22H,3,6,9,11-12,21H2,1H3/t15-,17?/m1/s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one?
4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 357.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]-3-[(3-fluorophenyl)methyl]-1-methyl-7,7a-dihydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 123617331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).