N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

C26H24N6O — CID 137112192

About N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 137112192) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
• PubChem CID: 137112192
• Molecular Formula: C26H24N6O
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.20
• IUPAC Name: N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)c1)C1CCCCC1
• InChI: InChI=1S/C26H24N6O/c33-26(16-5-2-1-3-6-16)29-20-11-19(14-27-15-20)17-8-9-22-21(12-17)24(32-31-22)23-13-18-7-4-10-28-25(18)30-23/h4,7-16H,1-3,5-6H2,(H,28,30)(H,29,33)(H,31,32)
• InChIKey: STIDFLDHNRANLT-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The IUPAC name of N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 137112192) is N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The canonical SMILES for N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)c1)C1CCCCC1.

What is the InChIKey of N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The InChIKey is STIDFLDHNRANLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c33-26(16-5-2-1-3-6-16)29-20-11-19(14-27-15-20)17-8-9-22-21(12-17)24(32-31-22)23-13-18-7-4-10-28-25(18)30-23/h4,7-16H,1-3,5-6H2,(H,28,30)(H,29,33)(H,31,32).

What are the key properties of N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 436.52 g/mol, XLogP of 5.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 137112192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).