[(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine

C24H22FN9 — CID 164851032

IUPAC[(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
SMILESNC[C@]1(c2ncccc2F)[C@@H]2CCN(c3cnc4c(-c5cccn6nccc56)[nH]nc4n3)C[C@@H]21
InChIInChI=1S/C24H22FN9/c25-17-4-1-7-27-22(17)24(13-26)15-6-10-33(12-16(15)24)19-11-28-21-20(31-32-23(21)30-19)14-3-2-9-34-18(14)5-8-29-34/h1-5,7-9,11,15-16H,6,10,12-13,26H2,(H,30,31,32)/t15-,16+,24+/m1/s1
InChIKeyJKZHAUKYGLAGTK-YPCHGGDPSA-N
MW455.50 g/mol
LogP2.55
Rot. Bonds4

About [(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine

[(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (PubChem CID 164851032) has the molecular formula C24H22FN9 and a molecular weight of 455.50 g/mol. Its IUPAC name is [(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]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,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
PubChem CID164851032
Molecular FormulaC24H22FN9
Molecular Weight455.50 g/mol
Exact Mass455.20
IUPAC Name[(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
SMILESNC[C@]1(c2ncccc2F)[C@@H]2CCN(c3cnc4c(-c5cccn6nccc56)[nH]nc4n3)C[C@@H]21
InChIInChI=1S/C24H22FN9/c25-17-4-1-7-27-22(17)24(13-26)15-6-10-33(12-16(15)24)19-11-28-21-20(31-32-23(21)30-19)14-3-2-9-34-18(14)5-8-29-34/h1-5,7-9,11,15-16H,6,10,12-13,26H2,(H,30,31,32)/t15-,16+,24+/m1/s1
InChIKeyJKZHAUKYGLAGTK-YPCHGGDPSA-N
XLogP2.55
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]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,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (CID 164851032) is [(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]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,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]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,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is NC[C@]1(c2ncccc2F)[C@@H]2CCN(c3cnc4c(-c5cccn6nccc56)[nH]nc4n3)C[C@@H]21.
What is the InChIKey of [(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The InChIKey is JKZHAUKYGLAGTK-YPCHGGDPSA-N. The full InChI is InChI=1S/C24H22FN9/c25-17-4-1-7-27-22(17)24(13-26)15-6-10-33(12-16(15)24)19-11-28-21-20(31-32-23(21)30-19)14-3-2-9-34-18(14)5-8-29-34/h1-5,7-9,11,15-16H,6,10,12-13,26H2,(H,30,31,32)/t15-,16+,24+/m1/s1.
What are the key properties of [(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
[(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]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 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R,7S)-7-(3-fluoro-2-pyridinyl)-3-(3-pyrazolo[1,5-a]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 164851032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).