(7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C25H27ClN4O5 — CID 156870221

About (7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

(7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 156870221) has the molecular formula C25H27ClN4O5 and a molecular weight of 498.97 g/mol. Its IUPAC name is (7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: (7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 156870221
• Molecular Formula: C25H27ClN4O5
• Molecular Weight: 498.97 g/mol
• Exact Mass: 498.17
• IUPAC Name: (7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• SMILES: COc1c(Cl)cccc1Nc1c(-c2ccncc2OC[C@H]2COCCO2)[nH]c2c1C(=O)NC[C@H]2C
• InChI: InChI=1S/C25H27ClN4O5/c1-14-10-28-25(31)20-21(14)30-22(23(20)29-18-5-3-4-17(26)24(18)32-2)16-6-7-27-11-19(16)35-13-15-12-33-8-9-34-15/h3-7,11,14-15,29-30H,8-10,12-13H2,1-2H3,(H,28,31)/t14-,15-/m1/s1
• InChIKey: CMCLUCJSQALGGD-HUUCEWRRSA-N
• XLogP: 4.12
• TPSA: 106.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.97
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of (7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 156870221) is (7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for (7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for (7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1c(Cl)cccc1Nc1c(-c2ccncc2OC[C@H]2COCCO2)[nH]c2c1C(=O)NC[C@H]2C.

What is the InChIKey of (7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The InChIKey is CMCLUCJSQALGGD-HUUCEWRRSA-N. The full InChI is InChI=1S/C25H27ClN4O5/c1-14-10-28-25(31)20-21(14)30-22(23(20)29-18-5-3-4-17(26)24(18)32-2)16-6-7-27-11-19(16)35-13-15-12-33-8-9-34-15/h3-7,11,14-15,29-30H,8-10,12-13H2,1-2H3,(H,28,31)/t14-,15-/m1/s1.

What are the key properties of (7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

(7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 498.97 g/mol, XLogP of 4.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 156870221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).