N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide

C28H21N7O — CID 137283013

About N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 137283013) has the molecular formula C28H21N7O and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 137283013
• Molecular Formula: C28H21N7O
• Molecular Weight: 471.52 g/mol
• Exact Mass: 471.18
• IUPAC Name: N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)ccnc5[nH]4)c3c2)c1)C1CC1
• InChI: InChI=1S/C28H21N7O/c36-28(16-4-5-16)32-19-11-18(14-29-15-19)17-6-7-24-22(12-17)26(35-34-24)25-13-21-20(8-10-31-27(21)33-25)23-3-1-2-9-30-23/h1-3,6-16H,4-5H2,(H,31,33)(H,32,36)(H,34,35)
• InChIKey: LEKGSTAPFRNRJM-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 137283013) is N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)ccnc5[nH]4)c3c2)c1)C1CC1.

What is the InChIKey of N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?

The InChIKey is LEKGSTAPFRNRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N7O/c36-28(16-4-5-16)32-19-11-18(14-29-15-19)17-6-7-24-22(12-17)26(35-34-24)25-13-21-20(8-10-31-27(21)33-25)23-3-1-2-9-30-23/h1-3,6-16H,4-5H2,(H,31,33)(H,32,36)(H,34,35).

What are the key properties of N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?

N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 471.52 g/mol, XLogP of 5.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 137283013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).