5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol

C22H25N7O — CID 168978828

IUPAC5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2ccc3nc(N4C[C@@H](C)N[C@@H](C)C4)cnc3n2)cc2cn(C)nc12
InChIInChI=1S/C22H25N7O/c1-12-9-29(10-13(2)24-12)19-8-23-22-18(25-19)6-5-17(26-22)16-7-15-11-28(4)27-20(15)14(3)21(16)30/h5-8,11-13,24,30H,9-10H2,1-4H3/t12-,13+
InChIKeyAYCSUPQNOUNYCY-BETUJISGSA-N
MW403.49 g/mol
LogP2.78
Rot. Bonds2

About 5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol

5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol (PubChem CID 168978828) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol.

Molecular Properties

Compound Name5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
PubChem CID168978828
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2ccc3nc(N4C[C@@H](C)N[C@@H](C)C4)cnc3n2)cc2cn(C)nc12
InChIInChI=1S/C22H25N7O/c1-12-9-29(10-13(2)24-12)19-8-23-22-18(25-19)6-5-17(26-22)16-7-15-11-28(4)27-20(15)14(3)21(16)30/h5-8,11-13,24,30H,9-10H2,1-4H3/t12-,13+
InChIKeyAYCSUPQNOUNYCY-BETUJISGSA-N
XLogP2.78
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol?
The IUPAC name of 5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol (CID 168978828) is 5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol.
What is the SMILES notation for 5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol?
The canonical SMILES for 5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol is Cc1c(O)c(-c2ccc3nc(N4C[C@@H](C)N[C@@H](C)C4)cnc3n2)cc2cn(C)nc12.
What is the InChIKey of 5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol?
The InChIKey is AYCSUPQNOUNYCY-BETUJISGSA-N. The full InChI is InChI=1S/C22H25N7O/c1-12-9-29(10-13(2)24-12)19-8-23-22-18(25-19)6-5-17(26-22)16-7-15-11-28(4)27-20(15)14(3)21(16)30/h5-8,11-13,24,30H,9-10H2,1-4H3/t12-,13+.
What are the key properties of 5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol?
5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol has a molecular weight of 403.49 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol is sourced from PubChem (CID 168978828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).