4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine

C39H36N10O2S2 — CID 135313099

IUPAC4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cscc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.c1csc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C20H19N5OS.C19H17N5OS/c1-13-11-27-12-16(13)15-10-18(25-6-8-26-9-7-25)23-19-14(15)2-4-21-20(19)17-3-5-22-24-17;1-2-16(26-11-1)14-12-17(24-7-9-25-10-8-24)22-18-13(14)3-5-20-19(18)15-4-6-21-23-15/h2-5,10-12H,6-9H2,1H3,(H,22,24);1-6,11-12H,7-10H2,(H,21,23)
InChIKeyHANHPIXFDOTABC-UHFFFAOYSA-N
MW740.92 g/mol
LogP7.48
Rot. Bonds6

About 4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine

4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine (PubChem CID 135313099) has the molecular formula C39H36N10O2S2 and a molecular weight of 740.92 g/mol. Its IUPAC name is 4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine
PubChem CID135313099
Molecular FormulaC39H36N10O2S2
Molecular Weight740.92 g/mol
Exact Mass740.25
IUPAC Name4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cscc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.c1csc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C20H19N5OS.C19H17N5OS/c1-13-11-27-12-16(13)15-10-18(25-6-8-26-9-7-25)23-19-14(15)2-4-21-20(19)17-3-5-22-24-17;1-2-16(26-11-1)14-12-17(24-7-9-25-10-8-24)22-18-13(14)3-5-20-19(18)15-4-6-21-23-15/h2-5,10-12H,6-9H2,1H3,(H,22,24);1-6,11-12H,7-10H2,(H,21,23)
InChIKeyHANHPIXFDOTABC-UHFFFAOYSA-N
XLogP7.48
TPSA133.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500740.92
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine (CID 135313099) is 4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine is Cc1cscc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.c1csc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.
What is the InChIKey of 4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is HANHPIXFDOTABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS.C19H17N5OS/c1-13-11-27-12-16(13)15-10-18(25-6-8-26-9-7-25)23-19-14(15)2-4-21-20(19)17-3-5-22-24-17;1-2-16(26-11-1)14-12-17(24-7-9-25-10-8-24)22-18-13(14)3-5-20-19(18)15-4-6-21-23-15/h2-5,10-12H,6-9H2,1H3,(H,22,24);1-6,11-12H,7-10H2,(H,21,23).
What are the key properties of 4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine?
4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 740.92 g/mol, XLogP of 7.48, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 135313099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).