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4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine

C25H30N6O2 — CID 118869091

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC1=C(c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)CCNC1
InChIInChI=1S/C25H30N6O2/c1-2-14-33-23(3-1)31-21(7-11-28-31)25-24-19(6-10-27-25)20(18-4-8-26-9-5-18)17-22(29-24)30-12-15-32-16-13-30/h4,6-7,10-11,17,23,26H,1-3,5,8-9,12-16H2
InChIKeyFEQIJBIKXCHEFP-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.41
Rot. Bonds4

About 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine

4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869091) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869091
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC1=C(c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)CCNC1
InChIInChI=1S/C25H30N6O2/c1-2-14-33-23(3-1)31-21(7-11-28-31)25-24-19(6-10-27-25)20(18-4-8-26-9-5-18)17-22(29-24)30-12-15-32-16-13-30/h4,6-7,10-11,17,23,26H,1-3,5,8-9,12-16H2
InChIKeyFEQIJBIKXCHEFP-UHFFFAOYSA-N
XLogP3.41
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869091) is 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine is C1=C(c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)CCNC1.
What is the InChIKey of 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is FEQIJBIKXCHEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-2-14-33-23(3-1)31-21(7-11-28-31)25-24-19(6-10-27-25)20(18-4-8-26-9-5-18)17-22(29-24)30-12-15-32-16-13-30/h4,6-7,10-11,17,23,26H,1-3,5,8-9,12-16H2.
What are the key properties of 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 446.56 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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