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

C27H29N5O3 — CID 118869230

IUPAC4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine
SMILESc1ccc(COc2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)cc1
InChIInChI=1S/C27H29N5O3/c1-2-6-20(7-3-1)19-35-23-18-24(31-13-16-33-17-14-31)30-26-21(23)9-11-28-27(26)22-10-12-29-32(22)25-8-4-5-15-34-25/h1-3,6-7,9-12,18,25H,4-5,8,13-17,19H2
InChIKeyULXMGAXOVGXILV-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.61
Rot. Bonds6

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

4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869230) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869230
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine
SMILESc1ccc(COc2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)cc1
InChIInChI=1S/C27H29N5O3/c1-2-6-20(7-3-1)19-35-23-18-24(31-13-16-33-17-14-31)30-26-21(23)9-11-28-27(26)22-10-12-29-32(22)25-8-4-5-15-34-25/h1-3,6-7,9-12,18,25H,4-5,8,13-17,19H2
InChIKeyULXMGAXOVGXILV-UHFFFAOYSA-N
XLogP4.61
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.61
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-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine (CID 118869230) is 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine is c1ccc(COc2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)cc1.
What is the InChIKey of 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is ULXMGAXOVGXILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-2-6-20(7-3-1)19-35-23-18-24(31-13-16-33-17-14-31)30-26-21(23)9-11-28-27(26)22-10-12-29-32(22)25-8-4-5-15-34-25/h1-3,6-7,9-12,18,25H,4-5,8,13-17,19H2.
What are the key properties of 4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine?
4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 471.56 g/mol, XLogP of 4.61, 6 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-phenylmethoxy-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).