6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol

C22H23N5O2 — CID 168977001

IUPAC6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
SMILESCc1nc2cc(O)c(-c3ccc4nc(N5CC(C)NC(C)C5)ccc4n3)cc2o1
InChIInChI=1S/C22H23N5O2/c1-12-10-27(11-13(2)23-12)22-7-6-17-18(26-22)5-4-16(25-17)15-8-21-19(9-20(15)28)24-14(3)29-21/h4-9,12-13,23,28H,10-11H2,1-3H3
InChIKeyPISMGNJDSVHIPC-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.64
Rot. Bonds2

About 6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol

6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol (PubChem CID 168977001) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
PubChem CID168977001
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
SMILESCc1nc2cc(O)c(-c3ccc4nc(N5CC(C)NC(C)C5)ccc4n3)cc2o1
InChIInChI=1S/C22H23N5O2/c1-12-10-27(11-13(2)23-12)22-7-6-17-18(26-22)5-4-16(25-17)15-8-21-19(9-20(15)28)24-14(3)29-21/h4-9,12-13,23,28H,10-11H2,1-3H3
InChIKeyPISMGNJDSVHIPC-UHFFFAOYSA-N
XLogP3.64
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol?
The IUPAC name of 6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol (CID 168977001) is 6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol.
What is the SMILES notation for 6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol?
The canonical SMILES for 6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol is Cc1nc2cc(O)c(-c3ccc4nc(N5CC(C)NC(C)C5)ccc4n3)cc2o1.
What is the InChIKey of 6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol?
The InChIKey is PISMGNJDSVHIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-12-10-27(11-13(2)23-12)22-7-6-17-18(26-22)5-4-16(25-17)15-8-21-19(9-20(15)28)24-14(3)29-21/h4-9,12-13,23,28H,10-11H2,1-3H3.
What are the key properties of 6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol?
6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol has a molecular weight of 389.46 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3,5-dimethylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol is sourced from PubChem (CID 168977001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).