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

C41H37ClN10O3S — CID 135313097

IUPAC4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Clc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)s1
InChIInChI=1S/C22H21N5O2.C19H16ClN5OS/c1-28-19-5-3-2-4-15(19)17-14-20(27-10-12-29-13-11-27)25-21-16(17)6-8-23-22(21)18-7-9-24-26-18;20-16-2-1-15(27-16)13-11-17(25-7-9-26-10-8-25)23-18-12(13)3-5-21-19(18)14-4-6-22-24-14/h2-9,14H,10-13H2,1H3,(H,24,26);1-6,11H,7-10H2,(H,22,24)
InChIKeyGXLQNHKELIHGJF-UHFFFAOYSA-N
MW785.33 g/mol
LogP7.77
Rot. Bonds7

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

4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 135313097) has the molecular formula C41H37ClN10O3S and a molecular weight of 785.33 g/mol. Its IUPAC name is 4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID135313097
Molecular FormulaC41H37ClN10O3S
Molecular Weight785.33 g/mol
Exact Mass784.25
IUPAC Name4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Clc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)s1
InChIInChI=1S/C22H21N5O2.C19H16ClN5OS/c1-28-19-5-3-2-4-15(19)17-14-20(27-10-12-29-13-11-27)25-21-16(17)6-8-23-22(21)18-7-9-24-26-18;20-16-2-1-15(27-16)13-11-17(25-7-9-26-10-8-25)23-18-12(13)3-5-21-19(18)14-4-6-22-24-14/h2-9,14H,10-13H2,1H3,(H,24,26);1-6,11H,7-10H2,(H,22,24)
InChIKeyGXLQNHKELIHGJF-UHFFFAOYSA-N
XLogP7.77
TPSA143.09 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500785.33
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-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-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 135313097) is 4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Clc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)s1.
What is the InChIKey of 4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is GXLQNHKELIHGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2.C19H16ClN5OS/c1-28-19-5-3-2-4-15(19)17-14-20(27-10-12-29-13-11-27)25-21-16(17)6-8-23-22(21)18-7-9-24-26-18;20-16-2-1-15(27-16)13-11-17(25-7-9-26-10-8-25)23-18-12(13)3-5-21-19(18)14-4-6-22-24-14/h2-9,14H,10-13H2,1H3,(H,24,26);1-6,11H,7-10H2,(H,22,24).
What are the key properties of 4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 785.33 g/mol, XLogP of 7.77, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chlorothiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 135313097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).