[(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine

C25H22FN7O — CID 164860797

IUPAC[(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
SMILESNC[C@]1(c2ccccc2F)[C@@H]2CCN(c3cnc4c(-c5ccnc6occc56)[nH]nc4n3)C[C@@H]21
InChIInChI=1S/C25H22FN7O/c26-19-4-2-1-3-17(19)25(13-27)16-6-9-33(12-18(16)25)20-11-29-22-21(31-32-23(22)30-20)14-5-8-28-24-15(14)7-10-34-24/h1-5,7-8,10-11,16,18H,6,9,12-13,27H2,(H,30,31,32)/t16-,18+,25-/m1/s1
InChIKeyHOLLKKSWVAVZQJ-JTWNBILESA-N
MW455.50 g/mol
LogP3.65
Rot. Bonds4

About [(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine

[(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (PubChem CID 164860797) has the molecular formula C25H22FN7O and a molecular weight of 455.50 g/mol. Its IUPAC name is [(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine.

Molecular Properties

Compound Name[(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
PubChem CID164860797
Molecular FormulaC25H22FN7O
Molecular Weight455.50 g/mol
Exact Mass455.19
IUPAC Name[(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
SMILESNC[C@]1(c2ccccc2F)[C@@H]2CCN(c3cnc4c(-c5ccnc6occc56)[nH]nc4n3)C[C@@H]21
InChIInChI=1S/C25H22FN7O/c26-19-4-2-1-3-17(19)25(13-27)16-6-9-33(12-18(16)25)20-11-29-22-21(31-32-23(22)30-20)14-5-8-28-24-15(14)7-10-34-24/h1-5,7-8,10-11,16,18H,6,9,12-13,27H2,(H,30,31,32)/t16-,18+,25-/m1/s1
InChIKeyHOLLKKSWVAVZQJ-JTWNBILESA-N
XLogP3.65
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-(2-fluorophenyl)-3-(3-quinolin-5-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 164850829
[(1S,6R,7R)-3-[3-(3-chloro-2-pyrimidin-5-yl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 164860397
[3-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 164850833
6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-1-amine
CID 171410186
6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one
CID 164860989
4-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chlorobenzonitrile
CID 164860995
6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-5-chloro-2H-phthalazin-1-one
CID 170430884
4-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-2-chloro-5-fluorobenzamide
CID 164860493
3-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-2H-isoquinolin-1-one
CID 164861093
7-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-1H-quinolin-2-one
CID 164860753
[(1S,6R,7R)-3-[3-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 164860235
6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 164860925

Frequently Asked Questions

What is the IUPAC name of [(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The IUPAC name of [(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (CID 164860797) is [(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine.
What is the SMILES notation for [(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The canonical SMILES for [(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is NC[C@]1(c2ccccc2F)[C@@H]2CCN(c3cnc4c(-c5ccnc6occc56)[nH]nc4n3)C[C@@H]21.
What is the InChIKey of [(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The InChIKey is HOLLKKSWVAVZQJ-JTWNBILESA-N. The full InChI is InChI=1S/C25H22FN7O/c26-19-4-2-1-3-17(19)25(13-27)16-6-9-33(12-18(16)25)20-11-29-22-21(31-32-23(22)30-20)14-5-8-28-24-15(14)7-10-34-24/h1-5,7-8,10-11,16,18H,6,9,12-13,27H2,(H,30,31,32)/t16-,18+,25-/m1/s1.
What are the key properties of [(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
[(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine has a molecular weight of 455.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R,7R)-7-(2-fluorophenyl)-3-(3-furo[2,3-b]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is sourced from PubChem (CID 164860797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).