(3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine

C20H26FN7 — CID 123132982

IUPAC(3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2cncc(C3CC4C(CN3)NNC4c3ccccc3F)n2)C1
InChIInChI=1S/C20H26FN7/c21-15-4-2-1-3-13(15)20-14-7-16(24-9-17(14)26-27-20)18-8-23-10-19(25-18)28-6-5-12(22)11-28/h1-4,8,10,12,14,16-17,20,24,26-27H,5-7,9,11,22H2/t12-,14?,16?,17?,20?/m1/s1
InChIKeyZGKNLGJXKOLWBC-LHWFMHAQSA-N
MW383.48 g/mol
LogP1.02
Rot. Bonds3

About (3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine

(3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine (PubChem CID 123132982) has the molecular formula C20H26FN7 and a molecular weight of 383.48 g/mol. Its IUPAC name is (3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
PubChem CID123132982
Molecular FormulaC20H26FN7
Molecular Weight383.48 g/mol
Exact Mass383.22
IUPAC Name(3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2cncc(C3CC4C(CN3)NNC4c3ccccc3F)n2)C1
InChIInChI=1S/C20H26FN7/c21-15-4-2-1-3-13(15)20-14-7-16(24-9-17(14)26-27-20)18-8-23-10-19(25-18)28-6-5-12(22)11-28/h1-4,8,10,12,14,16-17,20,24,26-27H,5-7,9,11,22H2/t12-,14?,16?,17?,20?/m1/s1
InChIKeyZGKNLGJXKOLWBC-LHWFMHAQSA-N
XLogP1.02
TPSA91.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

VK-19911
CID 9797240
N-cyclohexyl-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 809399
5-[1-(2-fluoroethyl)pyrazol-4-yl]-3-[6-(3-methylpiperazin-1-yl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054518
5-(1-ethylpyrazol-4-yl)-3-[6-[5-(trifluoromethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054546
5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054551
5-[1-(2-fluoroethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054555
1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine
CID 78054563
3-[6-(6,6-difluoro-1,4-diazepan-1-yl)-2-pyridinyl]-5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054577
1-[6-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]azepan-3-amine
CID 78054581
5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054593
5-(1-ethylpyrazol-4-yl)-3-[6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054603
3-(6-piperazin-1-yl-2-pyridinyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054613

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine (CID 123132982) is (3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine is N[C@@H]1CCN(c2cncc(C3CC4C(CN3)NNC4c3ccccc3F)n2)C1.
What is the InChIKey of (3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine?
The InChIKey is ZGKNLGJXKOLWBC-LHWFMHAQSA-N. The full InChI is InChI=1S/C20H26FN7/c21-15-4-2-1-3-13(15)20-14-7-16(24-9-17(14)26-27-20)18-8-23-10-19(25-18)28-6-5-12(22)11-28/h1-4,8,10,12,14,16-17,20,24,26-27H,5-7,9,11,22H2/t12-,14?,16?,17?,20?/m1/s1.
What are the key properties of (3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine?
(3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine has a molecular weight of 383.48 g/mol, XLogP of 1.02, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 123132982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).