4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine

C26H35N7O2 — CID 118869131

IUPAC4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1CN[C@@H](C)CN1c1cc(N2CCOCC2)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C26H35N7O2/c1-18-17-32(19(2)16-28-18)22-15-23(31-10-13-34-14-11-31)30-25-20(22)6-8-27-26(25)21-7-9-29-33(21)24-5-3-4-12-35-24/h6-9,15,18-19,24,28H,3-5,10-14,16-17H2,1-2H3/t18-,19+,24?/m0/s1
InChIKeyRACWBMMXBISRTB-ZJWBFHOUSA-N
MW477.61 g/mol
LogP3.22
Rot. Bonds4

About 4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine

4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869131) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869131
Molecular FormulaC26H35N7O2
Molecular Weight477.61 g/mol
Exact Mass477.29
IUPAC Name4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1CN[C@@H](C)CN1c1cc(N2CCOCC2)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C26H35N7O2/c1-18-17-32(19(2)16-28-18)22-15-23(31-10-13-34-14-11-31)30-25-20(22)6-8-27-26(25)21-7-9-29-33(21)24-5-3-4-12-35-24/h6-9,15,18-19,24,28H,3-5,10-14,16-17H2,1-2H3/t18-,19+,24?/m0/s1
InChIKeyRACWBMMXBISRTB-ZJWBFHOUSA-N
XLogP3.22
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine (CID 118869131) is 4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine is C[C@@H]1CN[C@@H](C)CN1c1cc(N2CCOCC2)nc2c(-c3ccnn3C3CCCCO3)nccc12.
What is the InChIKey of 4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is RACWBMMXBISRTB-ZJWBFHOUSA-N. The full InChI is InChI=1S/C26H35N7O2/c1-18-17-32(19(2)16-28-18)22-15-23(31-10-13-34-14-11-31)30-25-20(22)6-8-27-26(25)21-7-9-29-33(21)24-5-3-4-12-35-24/h6-9,15,18-19,24,28H,3-5,10-14,16-17H2,1-2H3/t18-,19+,24?/m0/s1.
What are the key properties of 4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 477.61 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).