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

C23H29N5O3 — CID 118890364

IUPAC4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1cc(N2CCOCC2)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C23H29N5O3/c1-16(2)31-19-15-20(27-10-13-29-14-11-27)26-22-17(19)6-8-24-23(22)18-7-9-25-28(18)21-5-3-4-12-30-21/h6-9,15-16,21H,3-5,10-14H2,1-2H3
InChIKeyDEBSYZZRPPSNOQ-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.82
Rot. Bonds5

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

4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118890364) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine
PubChem CID118890364
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1cc(N2CCOCC2)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C23H29N5O3/c1-16(2)31-19-15-20(27-10-13-29-14-11-27)26-22-17(19)6-8-24-23(22)18-7-9-25-28(18)21-5-3-4-12-30-21/h6-9,15-16,21H,3-5,10-14H2,1-2H3
InChIKeyDEBSYZZRPPSNOQ-UHFFFAOYSA-N
XLogP3.82
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
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-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine (CID 118890364) is 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine is CC(C)Oc1cc(N2CCOCC2)nc2c(-c3ccnn3C3CCCCO3)nccc12.
What is the InChIKey of 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is DEBSYZZRPPSNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-16(2)31-19-15-20(27-10-13-29-14-11-27)26-22-17(19)6-8-24-23(22)18-7-9-25-28(18)21-5-3-4-12-30-21/h6-9,15-16,21H,3-5,10-14H2,1-2H3.
What are the key properties of 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine?
4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 423.52 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 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-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118890364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).