2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol

C19H24F2N4O2 — CID 67964983

IUPAC2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1n[nH]c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2
InChIInChI=1S/C19H24F2N4O2/c1-19(2,26)18-13-7-25(8-16(13)23-24-18)11-6-15(22)17(27-9-11)12-5-10(20)3-4-14(12)21/h3-5,11,15,17,26H,6-9,22H2,1-2H3,(H,23,24)/t11-,15+,17-/m1/s1
InChIKeyDLNCRMJRBVWYDE-XQAQDONZSA-N
MW378.42 g/mol
LogP2.09
Rot. Bonds3

About 2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol

2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol (PubChem CID 67964983) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol
PubChem CID67964983
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1n[nH]c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2
InChIInChI=1S/C19H24F2N4O2/c1-19(2,26)18-13-7-25(8-16(13)23-24-18)11-6-15(22)17(27-9-11)12-5-10(20)3-4-14(12)21/h3-5,11,15,17,26H,6-9,22H2,1-2H3,(H,23,24)/t11-,15+,17-/m1/s1
InChIKeyDLNCRMJRBVWYDE-XQAQDONZSA-N
XLogP2.09
TPSA87.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol (CID 67964983) is 2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol is CC(C)(O)c1n[nH]c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2.
What is the InChIKey of 2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol?
The InChIKey is DLNCRMJRBVWYDE-XQAQDONZSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-19(2,26)18-13-7-25(8-16(13)23-24-18)11-6-15(22)17(27-9-11)12-5-10(20)3-4-14(12)21/h3-5,11,15,17,26H,6-9,22H2,1-2H3,(H,23,24)/t11-,15+,17-/m1/s1.
What are the key properties of 2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol?
2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol has a molecular weight of 378.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 67964983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).