5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol

C28H29N7O — CID 168978713

IUPAC5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2cc(-c3ccccn3)c3cc(N4C[C@H](C)N[C@@H](C)C4)cnc3n2)cc2cn(C)nc12
InChIInChI=1S/C28H29N7O/c1-16-13-35(14-17(2)31-16)20-10-22-21(24-7-5-6-8-29-24)11-25(32-28(22)30-12-20)23-9-19-15-34(4)33-26(19)18(3)27(23)36/h5-12,15-17,31,36H,13-14H2,1-4H3/t16-,17-/m0/s1
InChIKeyQIGULDCSYRXQOB-IRXDYDNUSA-N
MW479.59 g/mol
LogP4.45
Rot. Bonds3

About 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol

5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol (PubChem CID 168978713) has the molecular formula C28H29N7O and a molecular weight of 479.59 g/mol. Its IUPAC name is 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol.

Molecular Properties

Compound Name5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
PubChem CID168978713
Molecular FormulaC28H29N7O
Molecular Weight479.59 g/mol
Exact Mass479.24
IUPAC Name5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2cc(-c3ccccn3)c3cc(N4C[C@H](C)N[C@@H](C)C4)cnc3n2)cc2cn(C)nc12
InChIInChI=1S/C28H29N7O/c1-16-13-35(14-17(2)31-16)20-10-22-21(24-7-5-6-8-29-24)11-25(32-28(22)30-12-20)23-9-19-15-34(4)33-26(19)18(3)27(23)36/h5-12,15-17,31,36H,13-14H2,1-4H3/t16-,17-/m0/s1
InChIKeyQIGULDCSYRXQOB-IRXDYDNUSA-N
XLogP4.45
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol?
The IUPAC name of 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol (CID 168978713) is 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol.
What is the SMILES notation for 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol?
The canonical SMILES for 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol is Cc1c(O)c(-c2cc(-c3ccccn3)c3cc(N4C[C@H](C)N[C@@H](C)C4)cnc3n2)cc2cn(C)nc12.
What is the InChIKey of 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol?
The InChIKey is QIGULDCSYRXQOB-IRXDYDNUSA-N. The full InChI is InChI=1S/C28H29N7O/c1-16-13-35(14-17(2)31-16)20-10-22-21(24-7-5-6-8-29-24)11-25(32-28(22)30-12-20)23-9-19-15-34(4)33-26(19)18(3)27(23)36/h5-12,15-17,31,36H,13-14H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol?
5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol has a molecular weight of 479.59 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol is sourced from PubChem (CID 168978713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).