3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C21H16Cl2N6O2 — CID 163250281

IUPAC3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ncc2nccc(-c3[nH]c4c(c3Nc3cccc(Cl)c3Cl)C(=O)NCC4)c2n1
InChIInChI=1S/C21H16Cl2N6O2/c1-31-21-26-9-14-17(29-21)10(5-7-24-14)18-19(15-12(27-18)6-8-25-20(15)30)28-13-4-2-3-11(22)16(13)23/h2-5,7,9,27-28H,6,8H2,1H3,(H,25,30)
InChIKeyCUOJHPARACWGNG-UHFFFAOYSA-N
MW455.31 g/mol
LogP4.36
Rot. Bonds4

About 3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 163250281) has the molecular formula C21H16Cl2N6O2 and a molecular weight of 455.31 g/mol. Its IUPAC name is 3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID163250281
Molecular FormulaC21H16Cl2N6O2
Molecular Weight455.31 g/mol
Exact Mass454.07
IUPAC Name3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ncc2nccc(-c3[nH]c4c(c3Nc3cccc(Cl)c3Cl)C(=O)NCC4)c2n1
InChIInChI=1S/C21H16Cl2N6O2/c1-31-21-26-9-14-17(29-21)10(5-7-24-14)18-19(15-12(27-18)6-8-25-20(15)30)28-13-4-2-3-11(22)16(13)23/h2-5,7,9,27-28H,6,8H2,1H3,(H,25,30)
InChIKeyCUOJHPARACWGNG-UHFFFAOYSA-N
XLogP4.36
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

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
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
3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane
CID 163224470
3-(2,3-dichloroanilino)-2-[3-[[(2S)-oxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 155714454
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
2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398566
2-(2-amino-4-pyridinyl)-3-(3-chloro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 169006070
3-(3-chloro-2-methylanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 155246519
3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane
CID 169185665
(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
2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163249945
2-[3-[2-[(1S,3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]ethynyl]-4-pyridinyl]-3-(3-chloro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163223668

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 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) is 3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1ncc2nccc(-c3[nH]c4c(c3Nc3cccc(Cl)c3Cl)C(=O)NCC4)c2n1.
What is the InChIKey of 3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is CUOJHPARACWGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N6O2/c1-31-21-26-9-14-17(29-21)10(5-7-24-14)18-19(15-12(27-18)6-8-25-20(15)30)28-13-4-2-3-11(22)16(13)23/h2-5,7,9,27-28H,6,8H2,1H3,(H,25,30).
What are the key properties of 3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 455.31 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 163250281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).