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

C17H20F2N4O — CID 73051661

IUPAC(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine
SMILESC[C@]1(N2Cc3cn[nH]c3C2)CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1
InChIInChI=1S/C17H20F2N4O/c1-17(23-7-10-6-21-22-15(10)8-23)5-14(20)16(24-9-17)12-4-11(18)2-3-13(12)19/h2-4,6,14,16H,5,7-9,20H2,1H3,(H,21,22)/t14-,16+,17+/m0/s1
InChIKeySNWSUIZYGCLPCO-USXIJHARSA-N
MW334.37 g/mol
LogP2.25
Rot. Bonds2

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

(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine (PubChem CID 73051661) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine.

Molecular Properties

Compound Name(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine
PubChem CID73051661
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine
SMILESC[C@]1(N2Cc3cn[nH]c3C2)CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1
InChIInChI=1S/C17H20F2N4O/c1-17(23-7-10-6-21-22-15(10)8-23)5-14(20)16(24-9-17)12-4-11(18)2-3-13(12)19/h2-4,6,14,16H,5,7-9,20H2,1H3,(H,21,22)/t14-,16+,17+/m0/s1
InChIKeySNWSUIZYGCLPCO-USXIJHARSA-N
XLogP2.25
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine?
The IUPAC name of (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine (CID 73051661) is (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine.
What is the SMILES notation for (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine?
The canonical SMILES for (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine is C[C@]1(N2Cc3cn[nH]c3C2)CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1.
What is the InChIKey of (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine?
The InChIKey is SNWSUIZYGCLPCO-USXIJHARSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-17(23-7-10-6-21-22-15(10)8-23)5-14(20)16(24-9-17)12-4-11(18)2-3-13(12)19/h2-4,6,14,16H,5,7-9,20H2,1H3,(H,21,22)/t14-,16+,17+/m0/s1.
What are the key properties of (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine?
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine has a molecular weight of 334.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine is sourced from PubChem (CID 73051661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).