3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C24H22ClN5O3 — CID 163250006

IUPAC3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOCc1ccc2nccc(-c3[nH]c4c(c3Nc3cccc(Cl)c3OC)C(=O)NCC4)c2n1
InChIInChI=1S/C24H22ClN5O3/c1-32-12-13-6-7-17-20(28-13)14(8-10-26-17)21-22(19-16(29-21)9-11-27-24(19)31)30-18-5-3-4-15(25)23(18)33-2/h3-8,10,29-30H,9,11-12H2,1-2H3,(H,27,31)
InChIKeyXGYSKHNFPBQBOB-UHFFFAOYSA-N
MW463.93 g/mol
LogP4.46
Rot. Bonds6

About 3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 163250006) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID163250006
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOCc1ccc2nccc(-c3[nH]c4c(c3Nc3cccc(Cl)c3OC)C(=O)NCC4)c2n1
InChIInChI=1S/C24H22ClN5O3/c1-32-12-13-6-7-17-20(28-13)14(8-10-26-17)21-22(19-16(29-21)9-11-27-24(19)31)30-18-5-3-4-15(25)23(18)33-2/h3-8,10,29-30H,9,11-12H2,1-2H3,(H,27,31)
InChIKeyXGYSKHNFPBQBOB-UHFFFAOYSA-N
XLogP4.46
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 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) is 3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COCc1ccc2nccc(-c3[nH]c4c(c3Nc3cccc(Cl)c3OC)C(=O)NCC4)c2n1.
What is the InChIKey of 3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is XGYSKHNFPBQBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-32-12-13-6-7-17-20(28-13)14(8-10-26-17)21-22(19-16(29-21)9-11-27-24(19)31)30-18-5-3-4-15(25)23(18)33-2/h3-8,10,29-30H,9,11-12H2,1-2H3,(H,27,31).
What are the key properties of 3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 463.93 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 163250006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).