N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide

C28H20FN7O2S — CID 137135509

About N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 137135509) has the molecular formula C28H20FN7O2S and a molecular weight of 537.58 g/mol. Its IUPAC name is N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 137135509
• Molecular Formula: C28H20FN7O2S
• Molecular Weight: 537.58 g/mol
• Exact Mass: 537.14
• IUPAC Name: N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
• SMILES: CC(=O)c1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CC7)c6)c(F)c45)[nH]c23)s1
• InChI: InChI=1S/C28H20FN7O2S/c1-13(37)20-6-7-21(39-20)18-8-9-31-26-24(18)33-27(34-26)25-22-19(35-36-25)5-4-17(23(22)29)15-10-16(12-30-11-15)32-28(38)14-2-3-14/h4-12,14H,2-3H2,1H3,(H,32,38)(H,35,36)(H,31,33,34)
• InChIKey: NMSBJJMXNSAPHN-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 129.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.58
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 137135509) is N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide is CC(=O)c1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CC7)c6)c(F)c45)[nH]c23)s1.

What is the InChIKey of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?

The InChIKey is NMSBJJMXNSAPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN7O2S/c1-13(37)20-6-7-21(39-20)18-8-9-31-26-24(18)33-27(34-26)25-22-19(35-36-25)5-4-17(23(22)29)15-10-16(12-30-11-15)32-28(38)14-2-3-14/h4-12,14H,2-3H2,1H3,(H,32,38)(H,35,36)(H,31,33,34).

What are the key properties of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?

N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 537.58 g/mol, XLogP of 5.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 137135509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).