4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C42H40N10O4 — CID 135313487

IUPAC4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1.c1coc(Cc2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C22H21N5O2.C20H19N5O2/c1-28-16-4-2-15(3-5-16)18-14-20(27-10-12-29-13-11-27)25-21-17(18)6-8-23-22(21)19-7-9-24-26-19;1-2-15(27-9-1)12-14-13-18(25-7-10-26-11-8-25)23-19-16(14)3-5-21-20(19)17-4-6-22-24-17/h2-9,14H,10-13H2,1H3,(H,24,26);1-6,9,13H,7-8,10-12H2,(H,22,24)
InChIKeyAVOLKADANXGBQJ-UHFFFAOYSA-N
MW748.85 g/mol
LogP6.57
Rot. Bonds8

About 4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 135313487) has the molecular formula C42H40N10O4 and a molecular weight of 748.85 g/mol. Its IUPAC name is 4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID135313487
Molecular FormulaC42H40N10O4
Molecular Weight748.85 g/mol
Exact Mass748.32
IUPAC Name4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1.c1coc(Cc2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C22H21N5O2.C20H19N5O2/c1-28-16-4-2-15(3-5-16)18-14-20(27-10-12-29-13-11-27)25-21-17(18)6-8-23-22(21)19-7-9-24-26-19;1-2-15(27-9-1)12-14-13-18(25-7-10-26-11-8-25)23-19-16(14)3-5-21-20(19)17-4-6-22-24-17/h2-9,14H,10-13H2,1H3,(H,24,26);1-6,9,13H,7-8,10-12H2,(H,22,24)
InChIKeyAVOLKADANXGBQJ-UHFFFAOYSA-N
XLogP6.57
TPSA156.23 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500748.85
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 135313487) is 4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1.c1coc(Cc2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.
What is the InChIKey of 4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is AVOLKADANXGBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2.C20H19N5O2/c1-28-16-4-2-15(3-5-16)18-14-20(27-10-12-29-13-11-27)25-21-17(18)6-8-23-22(21)19-7-9-24-26-19;1-2-15(27-9-1)12-14-13-18(25-7-10-26-11-8-25)23-19-16(14)3-5-21-20(19)17-4-6-22-24-17/h2-9,14H,10-13H2,1H3,(H,24,26);1-6,9,13H,7-8,10-12H2,(H,22,24).
What are the key properties of 4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 748.85 g/mol, XLogP of 6.57, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-ylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 135313487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).