cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide

C20H19FN4O — CID 163252607

About cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163252607) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 163252607
• Molecular Formula: C20H19FN4O
• Molecular Weight: 350.40 g/mol
• Exact Mass: 350.15
• IUPAC Name: cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: Cn1c(-c2cccc3c2CCN3)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc21
• InChI: InChI=1S/C20H19FN4O/c1-25-17(13-3-2-4-16-12(13)5-6-22-16)7-11-8-19(23-10-18(11)25)24-20(26)14-9-15(14)21/h2-4,7-8,10,14-15,22H,5-6,9H2,1H3,(H,23,24,26)/t14-,15+/m1/s1
• InChIKey: VVDOOOJUNZJZRI-CABCVRRESA-N
• XLogP: 3.50
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.40
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide (CID 163252607) is cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide is Cn1c(-c2cccc3c2CCN3)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc21.

What is the InChIKey of cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is VVDOOOJUNZJZRI-CABCVRRESA-N. The full InChI is InChI=1S/C20H19FN4O/c1-25-17(13-3-2-4-16-12(13)5-6-22-16)7-11-8-19(23-10-18(11)25)24-20(26)14-9-15(14)21/h2-4,7-8,10,14-15,22H,5-6,9H2,1H3,(H,23,24,26)/t14-,15+/m1/s1.

What are the key properties of cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[2-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163252607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).