(2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol

C19H25F2N5O — CID 51040090

IUPAC(2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol
SMILESC[C@@H](O)Cn1cc2c(n1)CN([C@H]1CN[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2
InChIInChI=1S/C19H25F2N5O/c1-11(27)7-26-9-12-8-25(10-18(12)24-26)14-5-17(22)19(23-6-14)15-4-13(20)2-3-16(15)21/h2-4,9,11,14,17,19,23,27H,5-8,10,22H2,1H3/t11-,14-,17+,19-/m1/s1
InChIKeyHQYAMWDRXNIEFD-HRKYJCBASA-N
MW377.44 g/mol
LogP1.29
Rot. Bonds4

About (2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol

(2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol (PubChem CID 51040090) has the molecular formula C19H25F2N5O and a molecular weight of 377.44 g/mol. Its IUPAC name is (2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol
PubChem CID51040090
Molecular FormulaC19H25F2N5O
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name(2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol
SMILESC[C@@H](O)Cn1cc2c(n1)CN([C@H]1CN[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2
InChIInChI=1S/C19H25F2N5O/c1-11(27)7-26-9-12-8-25(10-18(12)24-26)14-5-17(22)19(23-6-14)15-4-13(20)2-3-16(15)21/h2-4,9,11,14,17,19,23,27H,5-8,10,22H2,1H3/t11-,14-,17+,19-/m1/s1
InChIKeyHQYAMWDRXNIEFD-HRKYJCBASA-N
XLogP1.29
TPSA79.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol (CID 51040090) is (2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol is C[C@@H](O)Cn1cc2c(n1)CN([C@H]1CN[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2.
What is the InChIKey of (2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol?
The InChIKey is HQYAMWDRXNIEFD-HRKYJCBASA-N. The full InChI is InChI=1S/C19H25F2N5O/c1-11(27)7-26-9-12-8-25(10-18(12)24-26)14-5-17(22)19(23-6-14)15-4-13(20)2-3-16(15)21/h2-4,9,11,14,17,19,23,27H,5-8,10,22H2,1H3/t11-,14-,17+,19-/m1/s1.
What are the key properties of (2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol?
(2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol has a molecular weight of 377.44 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)piperidin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]propan-2-ol is sourced from PubChem (CID 51040090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).