5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C71H65N13O12 — CID 163559878

IUPAC5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESNc1ccncc1CC(=O)C1COc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2C1.Nc1ccncc1N.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)O)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(C3=Nc5ccncc5C3)CO4)ccnc2N1
InChIInChI=1S/C24H22N4O4.C24H20N4O3.C18H16N2O5.C5H7N3/c25-19-5-7-26-12-15(19)11-20(29)16-9-14-10-17(1-3-21(14)31-13-16)32-22-6-8-27-24-18(22)2-4-23(30)28-24;29-23-4-2-18-22(6-8-26-24(18)28-23)31-17-1-3-21-14(10-17)9-16(13-30-21)20-11-15-12-25-7-5-19(15)27-20;21-16-4-2-13-15(5-6-19-17(13)20-16)25-12-1-3-14-10(8-12)7-11(9-24-14)18(22)23;6-4-1-2-8-3-5(4)7/h1,3,5-8,10,12,16H,2,4,9,11,13H2,(H2,25,26)(H,27,28,30);1,3,5-8,10,12,16H,2,4,9,11,13H2,(H,26,28,29);1,3,5-6,8,11H,2,4,7,9H2,(H,22,23)(H,19,20,21);1-3H,7H2,(H2,6,8)
InChIKeyFQHYMXOKPKNDQS-UHFFFAOYSA-N
MW1292.38 g/mol
LogP9.77
Rot. Bonds11

About 5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 163559878) has the molecular formula C71H65N13O12 and a molecular weight of 1292.38 g/mol. Its IUPAC name is 5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID163559878
Molecular FormulaC71H65N13O12
Molecular Weight1292.38 g/mol
Exact Mass1291.49
IUPAC Name5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESNc1ccncc1CC(=O)C1COc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2C1.Nc1ccncc1N.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)O)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(C3=Nc5ccncc5C3)CO4)ccnc2N1
InChIInChI=1S/C24H22N4O4.C24H20N4O3.C18H16N2O5.C5H7N3/c25-19-5-7-26-12-15(19)11-20(29)16-9-14-10-17(1-3-21(14)31-13-16)32-22-6-8-27-24-18(22)2-4-23(30)28-24;29-23-4-2-18-22(6-8-26-24(18)28-23)31-17-1-3-21-14(10-17)9-16(13-30-21)20-11-15-12-25-7-5-19(15)27-20;21-16-4-2-13-15(5-6-19-17(13)20-16)25-12-1-3-14-10(8-12)7-11(9-24-14)18(22)23;6-4-1-2-8-3-5(4)7/h1,3,5-8,10,12,16H,2,4,9,11,13H2,(H2,25,26)(H,27,28,30);1,3,5-8,10,12,16H,2,4,9,11,13H2,(H,26,28,29);1,3,5-6,8,11H,2,4,7,9H2,(H,22,23)(H,19,20,21);1-3H,7H2,(H2,6,8)
InChIKeyFQHYMXOKPKNDQS-UHFFFAOYSA-N
XLogP9.77
TPSA364.81 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001292.38
LogP ≤ 59.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 163559878) is 5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Nc1ccncc1CC(=O)C1COc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2C1.Nc1ccncc1N.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)O)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(C3=Nc5ccncc5C3)CO4)ccnc2N1.
What is the InChIKey of 5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is FQHYMXOKPKNDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4.C24H20N4O3.C18H16N2O5.C5H7N3/c25-19-5-7-26-12-15(19)11-20(29)16-9-14-10-17(1-3-21(14)31-13-16)32-22-6-8-27-24-18(22)2-4-23(30)28-24;29-23-4-2-18-22(6-8-26-24(18)28-23)31-17-1-3-21-14(10-17)9-16(13-30-21)20-11-15-12-25-7-5-19(15)27-20;21-16-4-2-13-15(5-6-19-17(13)20-16)25-12-1-3-14-10(8-12)7-11(9-24-14)18(22)23;6-4-1-2-8-3-5(4)7/h1,3,5-8,10,12,16H,2,4,9,11,13H2,(H2,25,26)(H,27,28,30);1,3,5-8,10,12,16H,2,4,9,11,13H2,(H,26,28,29);1,3,5-6,8,11H,2,4,7,9H2,(H,22,23)(H,19,20,21);1-3H,7H2,(H2,6,8).
What are the key properties of 5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 1292.38 g/mol, XLogP of 9.77, 11 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[2-(4-amino-3-pyridinyl)acetyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;pyridine-3,4-diamine;5-[[3-(3H-pyrrolo[3,2-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 163559878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).