5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine

C17H22F2N6 — CID 70274148

IUPAC5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESCN1CC(N2Cc3[nH]nc(N)c3C2)CC(N)[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C17H22F2N6/c1-24-6-10(25-7-12-15(8-25)22-23-17(12)21)5-14(20)16(24)11-4-9(18)2-3-13(11)19/h2-4,10,14,16H,5-8,20H2,1H3,(H3,21,22,23)/t10?,14?,16-/m1/s1
InChIKeyLMMKGGJGZSROGE-DARSQCIJSA-N
MW348.40 g/mol
LogP1.36
Rot. Bonds2

About 5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine

5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine (PubChem CID 70274148) has the molecular formula C17H22F2N6 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
PubChem CID70274148
Molecular FormulaC17H22F2N6
Molecular Weight348.40 g/mol
Exact Mass348.19
IUPAC Name5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESCN1CC(N2Cc3[nH]nc(N)c3C2)CC(N)[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C17H22F2N6/c1-24-6-10(25-7-12-15(8-25)22-23-17(12)21)5-14(20)16(24)11-4-9(18)2-3-13(11)19/h2-4,10,14,16H,5-8,20H2,1H3,(H3,21,22,23)/t10?,14?,16-/m1/s1
InChIKeyLMMKGGJGZSROGE-DARSQCIJSA-N
XLogP1.36
TPSA87.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
The IUPAC name of 5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine (CID 70274148) is 5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
The canonical SMILES for 5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine is CN1CC(N2Cc3[nH]nc(N)c3C2)CC(N)[C@H]1c1cc(F)ccc1F.
What is the InChIKey of 5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
The InChIKey is LMMKGGJGZSROGE-DARSQCIJSA-N. The full InChI is InChI=1S/C17H22F2N6/c1-24-6-10(25-7-12-15(8-25)22-23-17(12)21)5-14(20)16(24)11-4-9(18)2-3-13(11)19/h2-4,10,14,16H,5-8,20H2,1H3,(H3,21,22,23)/t10?,14?,16-/m1/s1.
What are the key properties of 5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine has a molecular weight of 348.40 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6R)-5-amino-6-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 70274148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).