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

C23H24N6O2 — CID 122585608

IUPAC4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1ncccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C23H24N6O2/c1-15(2)31-23-17(4-3-7-25-23)18-14-20(29-10-12-30-13-11-29)27-21-16(18)5-8-24-22(21)19-6-9-26-28-19/h3-9,14-15H,10-13H2,1-2H3,(H,26,28)
InChIKeyKLDBLOXUDNSLAD-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.71
Rot. Bonds5

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

4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 122585608) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID122585608
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1ncccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C23H24N6O2/c1-15(2)31-23-17(4-3-7-25-23)18-14-20(29-10-12-30-13-11-29)27-21-16(18)5-8-24-22(21)19-6-9-26-28-19/h3-9,14-15H,10-13H2,1-2H3,(H,26,28)
InChIKeyKLDBLOXUDNSLAD-UHFFFAOYSA-N
XLogP3.71
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 122585608) is 4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CC(C)Oc1ncccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is KLDBLOXUDNSLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15(2)31-23-17(4-3-7-25-23)18-14-20(29-10-12-30-13-11-29)27-21-16(18)5-8-24-22(21)19-6-9-26-28-19/h3-9,14-15H,10-13H2,1-2H3,(H,26,28).
What are the key properties of 4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 416.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-propan-2-yloxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 122585608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).