4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C22H22N6O2 — CID 118869666

IUPAC4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCCOc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cn1
InChIInChI=1S/C22H22N6O2/c1-2-30-20-4-3-15(14-24-20)17-13-19(28-9-11-29-12-10-28)26-21-16(17)5-7-23-22(21)18-6-8-25-27-18/h3-8,13-14H,2,9-12H2,1H3,(H,25,27)
InChIKeyREMXLRWVHYURKD-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.32
Rot. Bonds5

About 4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869666) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869666
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCCOc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cn1
InChIInChI=1S/C22H22N6O2/c1-2-30-20-4-3-15(14-24-20)17-13-19(28-9-11-29-12-10-28)26-21-16(17)5-7-23-22(21)18-6-8-25-27-18/h3-8,13-14H,2,9-12H2,1H3,(H,25,27)
InChIKeyREMXLRWVHYURKD-UHFFFAOYSA-N
XLogP3.32
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 139512018
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CID 73387064
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CID 90400979
CID 90400979
CID 10294883
CID 10294883
CID 11567059
CID 11567059
CID 73386878
CID 73386878
CID 90000938
CID 90000938
CID 90400782
CID 90400782
CID 56968075
CID 56968075
CID 56940772
CID 56940772
CID 56942076
CID 56942076
CID 66556032
CID 66556032

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869666) is 4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CCOc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cn1.
What is the InChIKey of 4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is REMXLRWVHYURKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-2-30-20-4-3-15(14-24-20)17-13-19(28-9-11-29-12-10-28)26-21-16(17)5-7-23-22(21)18-6-8-25-27-18/h3-8,13-14H,2,9-12H2,1H3,(H,25,27).
What are the key properties of 4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 402.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).