4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide

C45H43N11O4 — CID 135313312

IUPAC4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.COc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C23H22N6O2.C22H21N5O2/c1-15(30)26-17-4-2-3-16(13-17)19-14-21(29-9-11-31-12-10-29)27-22-18(19)5-7-24-23(22)20-6-8-25-28-20;1-28-16-4-2-3-15(13-16)18-14-20(27-9-11-29-12-10-27)25-21-17(18)5-7-23-22(21)19-6-8-24-26-19/h2-8,13-14H,9-12H2,1H3,(H,25,28)(H,26,30);2-8,13-14H,9-12H2,1H3,(H,24,26)
InChIKeyDKCBYSSEIQWBMP-UHFFFAOYSA-N
MW801.91 g/mol
LogP7.01
Rot. Bonds8

About 4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide

4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide (PubChem CID 135313312) has the molecular formula C45H43N11O4 and a molecular weight of 801.91 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide
PubChem CID135313312
Molecular FormulaC45H43N11O4
Molecular Weight801.91 g/mol
Exact Mass801.35
IUPAC Name4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.COc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C23H22N6O2.C22H21N5O2/c1-15(30)26-17-4-2-3-16(13-17)19-14-21(29-9-11-31-12-10-29)27-22-18(19)5-7-24-23(22)20-6-8-25-28-20;1-28-16-4-2-3-15(13-16)18-14-20(27-9-11-29-12-10-27)25-21-17(18)5-7-23-22(21)19-6-8-24-26-19/h2-8,13-14H,9-12H2,1H3,(H,25,28)(H,26,30);2-8,13-14H,9-12H2,1H3,(H,24,26)
InChIKeyDKCBYSSEIQWBMP-UHFFFAOYSA-N
XLogP7.01
TPSA172.19 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500801.91
LogP ≤ 57.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide?
The IUPAC name of 4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide (CID 135313312) is 4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide?
The canonical SMILES for 4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.COc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide?
The InChIKey is DKCBYSSEIQWBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2.C22H21N5O2/c1-15(30)26-17-4-2-3-16(13-17)19-14-21(29-9-11-31-12-10-29)27-22-18(19)5-7-24-23(22)20-6-8-25-28-20;1-28-16-4-2-3-15(13-16)18-14-20(27-9-11-29-12-10-27)25-21-17(18)5-7-23-22(21)19-6-8-24-26-19/h2-8,13-14H,9-12H2,1H3,(H,25,28)(H,26,30);2-8,13-14H,9-12H2,1H3,(H,24,26).
What are the key properties of 4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide?
4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide has a molecular weight of 801.91 g/mol, XLogP of 7.01, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]acetamide is sourced from PubChem (CID 135313312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).