2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide

C24H23FN6O3 — CID 121231348

About 2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide

2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide (PubChem CID 121231348) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
• PubChem CID: 121231348
• Molecular Formula: C24H23FN6O3
• Molecular Weight: 462.49 g/mol
• Exact Mass: 462.18
• IUPAC Name: 2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
• SMILES: CC(CO)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cncc(F)c21
• InChI: InChI=1S/C24H23FN6O3/c1-14(13-32)31-11-19(18-9-27-10-20(25)23(18)31)24(34)16-6-17(8-26-7-16)28-22(33)12-30-5-4-21(29-30)15-2-3-15/h4-11,14-15,32H,2-3,12-13H2,1H3,(H,28,33)
• InChIKey: SJVRPLPCFKTQED-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 114.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.49
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?

The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide (CID 121231348) is 2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide is CC(CO)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cncc(F)c21.

What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?

The InChIKey is SJVRPLPCFKTQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-14(13-32)31-11-19(18-9-27-10-20(25)23(18)31)24(34)16-6-17(8-26-7-16)28-22(33)12-30-5-4-21(29-30)15-2-3-15/h4-11,14-15,32H,2-3,12-13H2,1H3,(H,28,33).

What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?

2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide has a molecular weight of 462.49 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 121231348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).