6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine

C21H25FN8O — CID 176566909

About 6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine

6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 176566909) has the molecular formula C21H25FN8O and a molecular weight of 424.48 g/mol. Its IUPAC name is 6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

• Compound Name: 6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
• PubChem CID: 176566909
• Molecular Formula: C21H25FN8O
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.21
• IUPAC Name: 6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
• SMILES: COc1nc(N2C[C@H](C)N[C@@H](C)C2)cc2[nH]nc(Nc3cc(F)c4nn(C)cc4c3)c12
• InChI: InChI=1S/C21H25FN8O/c1-11-8-30(9-12(2)23-11)17-7-16-18(21(25-17)31-4)20(27-26-16)24-14-5-13-10-29(3)28-19(13)15(22)6-14/h5-7,10-12,23H,8-9H2,1-4H3,(H2,24,26,27)/t11-,12-/m0/s1
• InChIKey: LKDBSKSNOOGCIJ-RYUDHWBXSA-N
• XLogP: 2.92
• TPSA: 95.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine?

The IUPAC name of 6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine (CID 176566909) is 6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine.

What is the SMILES notation for 6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine?

The canonical SMILES for 6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine is COc1nc(N2C[C@H](C)N[C@@H](C)C2)cc2[nH]nc(Nc3cc(F)c4nn(C)cc4c3)c12.

What is the InChIKey of 6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine?

The InChIKey is LKDBSKSNOOGCIJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C21H25FN8O/c1-11-8-30(9-12(2)23-11)17-7-16-18(21(25-17)31-4)20(27-26-16)24-14-5-13-10-29(3)28-19(13)15(22)6-14/h5-7,10-12,23H,8-9H2,1-4H3,(H2,24,26,27)/t11-,12-/m0/s1.

What are the key properties of 6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine?

6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 424.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 176566909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).