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

C23H23N5O2 — CID 168977289

IUPAC6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
SMILESCc1nc2cc(O)c(-c3ccc4nc(N5CCN[C@@H](C6CC6)C5)ccc4n3)cc2o1
InChIInChI=1S/C23H23N5O2/c1-13-25-19-11-21(29)15(10-22(19)30-13)16-4-5-18-17(26-16)6-7-23(27-18)28-9-8-24-20(12-28)14-2-3-14/h4-7,10-11,14,20,24,29H,2-3,8-9,12H2,1H3/t20-/m1/s1
InChIKeyKYROQLOHLLFZOY-HXUWFJFHSA-N
MW401.47 g/mol
LogP3.64
Rot. Bonds3

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

6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol (PubChem CID 168977289) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
PubChem CID168977289
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
SMILESCc1nc2cc(O)c(-c3ccc4nc(N5CCN[C@@H](C6CC6)C5)ccc4n3)cc2o1
InChIInChI=1S/C23H23N5O2/c1-13-25-19-11-21(29)15(10-22(19)30-13)16-4-5-18-17(26-16)6-7-23(27-18)28-9-8-24-20(12-28)14-2-3-14/h4-7,10-11,14,20,24,29H,2-3,8-9,12H2,1H3/t20-/m1/s1
InChIKeyKYROQLOHLLFZOY-HXUWFJFHSA-N
XLogP3.64
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
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-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol?
The IUPAC name of 6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol (CID 168977289) is 6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol.
What is the SMILES notation for 6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol?
The canonical SMILES for 6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol is Cc1nc2cc(O)c(-c3ccc4nc(N5CCN[C@@H](C6CC6)C5)ccc4n3)cc2o1.
What is the InChIKey of 6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol?
The InChIKey is KYROQLOHLLFZOY-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-13-25-19-11-21(29)15(10-22(19)30-13)16-4-5-18-17(26-16)6-7-23(27-18)28-9-8-24-20(12-28)14-2-3-14/h4-7,10-11,14,20,24,29H,2-3,8-9,12H2,1H3/t20-/m1/s1.
What are the key properties of 6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol?
6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol has a molecular weight of 401.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol is sourced from PubChem (CID 168977289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).