fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate

C16H12FN5O2 — CID 154686076

About fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate

fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate (PubChem CID 154686076) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate.

Molecular Properties

• Compound Name: fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate
• PubChem CID: 154686076
• Molecular Formula: C16H12FN5O2
• Molecular Weight: 325.30 g/mol
• Exact Mass: 325.10
• IUPAC Name: fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate
• SMILES: Cc1c(-c2ccc3nc(NC(=O)OF)cn3c2)cnc2[nH]ccc12
• InChI: InChI=1S/C16H12FN5O2/c1-9-11-4-5-18-15(11)19-6-12(9)10-2-3-14-20-13(8-22(14)7-10)21-16(23)24-17/h2-8H,1H3,(H,18,19)(H,21,23)
• InChIKey: PCUYYNWKTYBKQS-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.30
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate?

The IUPAC name of fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate (CID 154686076) is fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate.

What is the SMILES notation for fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate?

The canonical SMILES for fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate is Cc1c(-c2ccc3nc(NC(=O)OF)cn3c2)cnc2[nH]ccc12.

What is the InChIKey of fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate?

The InChIKey is PCUYYNWKTYBKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2/c1-9-11-4-5-18-15(11)19-6-12(9)10-2-3-14-20-13(8-22(14)7-10)21-16(23)24-17/h2-8H,1H3,(H,18,19)(H,21,23).

What are the key properties of fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate?

fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate has a molecular weight of 325.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate is sourced from PubChem (CID 154686076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).