methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate

C20H17N5O3 — CID 121412121

About methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate

methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate (PubChem CID 121412121) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate
• PubChem CID: 121412121
• Molecular Formula: C20H17N5O3
• Molecular Weight: 375.39 g/mol
• Exact Mass: 375.13
• IUPAC Name: methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate
• SMILES: COC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(OC)nc2)ccn1
• InChI: InChI=1S/C20H17N5O3/c1-27-16-6-5-13(11-23-16)17-18(24-14-4-3-8-22-19(14)17)12-7-9-21-15(10-12)25-20(26)28-2/h3-11,24H,1-2H3,(H,21,25,26)
• InChIKey: UJNYWXUGIRTFIV-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 102.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.39
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate?

The IUPAC name of methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate (CID 121412121) is methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate.

What is the SMILES notation for methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate?

The canonical SMILES for methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(OC)nc2)ccn1.

What is the InChIKey of methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate?

The InChIKey is UJNYWXUGIRTFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-27-16-6-5-13(11-23-16)17-18(24-14-4-3-8-22-19(14)17)12-7-9-21-15(10-12)25-20(26)28-2/h3-11,24H,1-2H3,(H,21,25,26).

What are the key properties of methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate?

methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate has a molecular weight of 375.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 121412121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).