N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C21H23N3O2 — CID 97091728

About N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 97091728) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
• PubChem CID: 97091728
• Molecular Formula: C21H23N3O2
• Molecular Weight: 349.43 g/mol
• Exact Mass: 349.18
• IUPAC Name: N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
• SMILES: C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Cc2c[nH]c3ncccc23)C2CC2)o1
• InChI: InChI=1S/C21H23N3O2/c1-13-9-18(13)19-7-6-16(26-19)12-24(15-4-5-15)20(25)10-14-11-23-21-17(14)3-2-8-22-21/h2-3,6-8,11,13,15,18H,4-5,9-10,12H2,1H3,(H,22,23)/t13-,18-/m1/s1
• InChIKey: NHKUBOHGHBABCN-FZKQIMNGSA-N
• XLogP: 4.01
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.43
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?

The IUPAC name of N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 97091728) is N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

What is the SMILES notation for N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?

The canonical SMILES for N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Cc2c[nH]c3ncccc23)C2CC2)o1.

What is the InChIKey of N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?

The InChIKey is NHKUBOHGHBABCN-FZKQIMNGSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-9-18(13)19-7-6-16(26-19)12-24(15-4-5-15)20(25)10-14-11-23-21-17(14)3-2-8-22-21/h2-3,6-8,11,13,15,18H,4-5,9-10,12H2,1H3,(H,22,23)/t13-,18-/m1/s1.

What are the key properties of N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?

N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 97091728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).