[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

C24H21Cl2FN6 — CID 164850833

IUPAC[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
SMILESNCC1(c2ccccc2F)C2CCN(c3cnc4c(-c5cccc(Cl)c5Cl)[nH]nc4n3)CC21
InChIInChI=1S/C24H21Cl2FN6/c25-17-6-3-4-13(20(17)26)21-22-23(32-31-21)30-19(10-29-22)33-9-8-14-16(11-33)24(14,12-28)15-5-1-2-7-18(15)27/h1-7,10,14,16H,8-9,11-12,28H2,(H,30,31,32)
InChIKeyCOCZCKPQJKBJPM-UHFFFAOYSA-N
MW483.38 g/mol
LogP4.82
Rot. Bonds4

About [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

[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 (PubChem CID 164850833) has the molecular formula C24H21Cl2FN6 and a molecular weight of 483.38 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID164850833
Molecular FormulaC24H21Cl2FN6
Molecular Weight483.38 g/mol
Exact Mass482.12
IUPAC Name[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
SMILESNCC1(c2ccccc2F)C2CCN(c3cnc4c(-c5cccc(Cl)c5Cl)[nH]nc4n3)CC21
InChIInChI=1S/C24H21Cl2FN6/c25-17-6-3-4-13(20(17)26)21-22-23(32-31-21)30-19(10-29-22)33-9-8-14-16(11-33)24(14,12-28)15-5-1-2-7-18(15)27/h1-7,10,14,16H,8-9,11-12,28H2,(H,30,31,32)
InChIKeyCOCZCKPQJKBJPM-UHFFFAOYSA-N
XLogP4.82
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.38
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [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 with MolForge

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Related Compounds

[(1S,6R,7R)-3-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-phenyl-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 171358483
[(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
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
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
[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
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
[(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-methylpyridin-2-one
CID 164860989
[(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
4-[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-chlorophenyl]-2,6-difluorocyclohex-3-en-1-ol
CID 164860544
[(1S,6R,7R)-7-(2-chlorophenyl)-3-[3-(2,4-dimethylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 164850858

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is NCC1(c2ccccc2F)C2CCN(c3cnc4c(-c5cccc(Cl)c5Cl)[nH]nc4n3)CC21.
What is the InChIKey of [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?
The InChIKey is COCZCKPQJKBJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2FN6/c25-17-6-3-4-13(20(17)26)21-22-23(32-31-21)30-19(10-29-22)33-9-8-14-16(11-33)24(14,12-28)15-5-1-2-7-18(15)27/h1-7,10,14,16H,8-9,11-12,28H2,(H,30,31,32).
What are the key properties of [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?
[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 has a molecular weight of 483.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 164850833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).