cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C29H31FN6O3 — CID 161220367

About cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 161220367) has the molecular formula C29H31FN6O3 and a molecular weight of 530.60 g/mol. Its IUPAC name is cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
• PubChem CID: 161220367
• Molecular Formula: C29H31FN6O3
• Molecular Weight: 530.60 g/mol
• Exact Mass: 530.24
• IUPAC Name: cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
• SMILES: NC(=O)C1CC1.O=C(Nc1cc(C2=CC3CCCC(C2)N3C(=O)c2ccncc2F)c2cc[nH]c2n1)C1CC1
• InChI: InChI=1S/C25H24FN5O2.C4H7NO/c26-21-13-27-8-6-19(21)25(33)31-16-2-1-3-17(31)11-15(10-16)20-12-22(30-24(32)14-4-5-14)29-23-18(20)7-9-28-23;5-4(6)3-1-2-3/h6-10,12-14,16-17H,1-5,11H2,(H2,28,29,30,32);3H,1-2H2,(H2,5,6)
• InChIKey: UXKOBJJOJNACFU-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 134.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.60
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

The IUPAC name of cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 161220367) is cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

What is the SMILES notation for cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

The canonical SMILES for cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is NC(=O)C1CC1.O=C(Nc1cc(C2=CC3CCCC(C2)N3C(=O)c2ccncc2F)c2cc[nH]c2n1)C1CC1.

What is the InChIKey of cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

The InChIKey is UXKOBJJOJNACFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2.C4H7NO/c26-21-13-27-8-6-19(21)25(33)31-16-2-1-3-17(31)11-15(10-16)20-12-22(30-24(32)14-4-5-14)29-23-18(20)7-9-28-23;5-4(6)3-1-2-3/h6-10,12-14,16-17H,1-5,11H2,(H2,28,29,30,32);3H,1-2H2,(H2,5,6).

What are the key properties of cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 530.60 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanecarboxamide;N-[4-[9-(3-fluoropyridine-4-carbonyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 161220367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).