5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C24H24ClFN4O4 — CID 11283170

About 5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 11283170) has the molecular formula C24H24ClFN4O4 and a molecular weight of 486.93 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 11283170
• Molecular Formula: C24H24ClFN4O4
• Molecular Weight: 486.93 g/mol
• Exact Mass: 486.15
• IUPAC Name: 5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC2(C1)OCCO2)c1cc2cc(Cl)ncc2[nH]1
• InChI: InChI=1S/C24H24ClFN4O4/c25-21-12-16-11-18(28-20(16)13-27-21)22(31)29-19(10-15-2-4-17(26)5-3-15)23(32)30-7-1-6-24(14-30)33-8-9-34-24/h2-5,11-13,19,28H,1,6-10,14H2,(H,29,31)/t19-/m0/s1
• InChIKey: VISVMXXVFSVWLM-IBGZPJMESA-N
• XLogP: 3.06
• TPSA: 96.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.93
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 11283170) is 5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC2(C1)OCCO2)c1cc2cc(Cl)ncc2[nH]1.

What is the InChIKey of 5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is VISVMXXVFSVWLM-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24ClFN4O4/c25-21-12-16-11-18(28-20(16)13-27-21)22(31)29-19(10-15-2-4-17(26)5-3-15)23(32)30-7-1-6-24(14-30)33-8-9-34-24/h2-5,11-13,19,28H,1,6-10,14H2,(H,29,31)/t19-/m0/s1.

What are the key properties of 5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 486.93 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2S)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 11283170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).