3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one

C27H25ClN4O3 — CID 169185627

IUPAC3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccnc3ccc(OC4(C)CC4)nc23)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C27H25ClN4O3/c1-27(12-13-27)35-21-10-9-18-23(32-21)15(11-14-29-18)24-25(22-17(30-24)6-4-8-20(22)33)31-19-7-3-5-16(28)26(19)34-2/h3,5,7,9-11,14,30-31H,4,6,8,12-13H2,1-2H3
InChIKeyWAAFFOZCNCEPBL-UHFFFAOYSA-N
MW488.98 g/mol
LogP6.48
Rot. Bonds6

About 3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one

3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one (PubChem CID 169185627) has the molecular formula C27H25ClN4O3 and a molecular weight of 488.98 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one
PubChem CID169185627
Molecular FormulaC27H25ClN4O3
Molecular Weight488.98 g/mol
Exact Mass488.16
IUPAC Name3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccnc3ccc(OC4(C)CC4)nc23)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C27H25ClN4O3/c1-27(12-13-27)35-21-10-9-18-23(32-21)15(11-14-29-18)24-25(22-17(30-24)6-4-8-20(22)33)31-19-7-3-5-16(28)26(19)34-2/h3,5,7,9-11,14,30-31H,4,6,8,12-13H2,1-2H3
InChIKeyWAAFFOZCNCEPBL-UHFFFAOYSA-N
XLogP6.48
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.98
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane
CID 169185665
3-(3-chloro-2-methoxyanilino)-2-[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one
CID 169185638
3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one
CID 169185643
3-(3-chloro-2-methoxyanilino)-2-(6-ethoxy-1,5-naphthyridin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 171398772
3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163250006
(2R,4S)-8-(3-chloro-2-methoxyanilino)-9-[2-(1-methylcyclopropyl)oxypyrido[3,2-d]pyrimidin-8-yl]-5,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-dien-6-one
CID 171399163
3-(3-chloro-2-methoxyanilino)-7-(fluoromethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398654
3-(3-fluoro-2-methoxyanilino)-2-[6-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398721
(2S,4R)-8-(3-chloro-2-methoxyanilino)-9-[6-[(3R)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]-5,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-dien-6-one
CID 171398952
3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163250281
2-[2-amino-3-[2-(6-methoxy-2-pyridinyl)ethynyl]-4-pyridinyl]-3-(3-chloro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 170384089
8-(3-chloro-2-methylanilino)-9-(6-methoxy-1,5-naphthyridin-4-yl)-5,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-dien-6-one
CID 171398920

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one (CID 169185627) is 3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one is COc1c(Cl)cccc1Nc1c(-c2ccnc3ccc(OC4(C)CC4)nc23)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is WAAFFOZCNCEPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O3/c1-27(12-13-27)35-21-10-9-18-23(32-21)15(11-14-29-18)24-25(22-17(30-24)6-4-8-20(22)33)31-19-7-3-5-16(28)26(19)34-2/h3,5,7,9-11,14,30-31H,4,6,8,12-13H2,1-2H3.
What are the key properties of 3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one?
3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 488.98 g/mol, XLogP of 6.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 169185627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).