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

C62H58ClN17O4S — CID 135313345

IUPAC4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ccncc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1ccsc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1cnc(Cl)c(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C21H19ClN6O.C21H20N6O2.C20H19N5OS/c1-13-10-16(21(22)24-12-13)15-11-18(28-6-8-29-9-7-28)26-19-14(15)2-4-23-20(19)17-3-5-25-27-17;1-28-18-4-5-22-13-16(18)15-12-19(27-8-10-29-11-9-27)25-20-14(15)2-6-23-21(20)17-3-7-24-26-17;1-13-4-11-27-20(13)15-12-17(25-7-9-26-10-8-25)23-18-14(15)2-5-21-19(18)16-3-6-22-24-16/h2-5,10-12H,6-9H2,1H3,(H,25,27);2-7,12-13H,8-11H2,1H3,(H,24,26);2-6,11-12H,7-10H2,1H3,(H,22,24)
InChIKeyGACRSTSWSXUMBV-UHFFFAOYSA-N
MW1172.78 g/mol
LogP10.70
Rot. Bonds10

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

4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 135313345) has the molecular formula C62H58ClN17O4S and a molecular weight of 1172.78 g/mol. Its IUPAC name is 4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID135313345
Molecular FormulaC62H58ClN17O4S
Molecular Weight1172.78 g/mol
Exact Mass1171.43
IUPAC Name4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ccncc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1ccsc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1cnc(Cl)c(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C21H19ClN6O.C21H20N6O2.C20H19N5OS/c1-13-10-16(21(22)24-12-13)15-11-18(28-6-8-29-9-7-28)26-19-14(15)2-4-23-20(19)17-3-5-25-27-17;1-28-18-4-5-22-13-16(18)15-12-19(27-8-10-29-11-9-27)25-20-14(15)2-6-23-21(20)17-3-7-24-26-17;1-13-4-11-27-20(13)15-12-17(25-7-9-26-10-8-25)23-18-14(15)2-5-21-19(18)16-3-6-22-24-16/h2-5,10-12H,6-9H2,1H3,(H,25,27);2-7,12-13H,8-11H2,1H3,(H,24,26);2-6,11-12H,7-10H2,1H3,(H,22,24)
InChIKeyGACRSTSWSXUMBV-UHFFFAOYSA-N
XLogP10.70
TPSA235.80 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001172.78
LogP ≤ 510.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-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-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 135313345) is 4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1ccncc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1ccsc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1cnc(Cl)c(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.
What is the InChIKey of 4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is GACRSTSWSXUMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O.C21H20N6O2.C20H19N5OS/c1-13-10-16(21(22)24-12-13)15-11-18(28-6-8-29-9-7-28)26-19-14(15)2-4-23-20(19)17-3-5-25-27-17;1-28-18-4-5-22-13-16(18)15-12-19(27-8-10-29-11-9-27)25-20-14(15)2-6-23-21(20)17-3-7-24-26-17;1-13-4-11-27-20(13)15-12-17(25-7-9-26-10-8-25)23-18-14(15)2-5-21-19(18)16-3-6-22-24-16/h2-5,10-12H,6-9H2,1H3,(H,25,27);2-7,12-13H,8-11H2,1H3,(H,24,26);2-6,11-12H,7-10H2,1H3,(H,22,24).
What are the key properties of 4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 1172.78 g/mol, XLogP of 10.70, 10 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-5-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(4-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(3-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 135313345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).