2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide

C29H22FN7O — CID 176542645

About 2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide

2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 176542645) has the molecular formula C29H22FN7O and a molecular weight of 503.54 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 176542645
• Molecular Formula: C29H22FN7O
• Molecular Weight: 503.54 g/mol
• Exact Mass: 503.19
• IUPAC Name: 2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
• SMILES: O=C(CC1CC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(C6=C=CC(F)=CC6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C29H22FN7O/c30-20-6-3-17(4-7-20)23-14-32-15-25-27(23)35-29(34-25)28-22-11-18(5-8-24(22)36-37-28)19-10-21(13-31-12-19)33-26(38)9-16-1-2-16/h5-8,10-16H,1-3,9H2,(H,33,38)(H,34,35)(H,36,37)
• InChIKey: GKQOJDDAUUZUIN-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.54
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 176542645) is 2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is O=C(CC1CC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(C6=C=CC(F)=CC6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of 2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The InChIKey is GKQOJDDAUUZUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN7O/c30-20-6-3-17(4-7-20)23-14-32-15-25-27(23)35-29(34-25)28-22-11-18(5-8-24(22)36-37-28)19-10-21(13-31-12-19)33-26(38)9-16-1-2-16/h5-8,10-16H,1-3,9H2,(H,33,38)(H,34,35)(H,36,37).

What are the key properties of 2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?

2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 503.54 g/mol, XLogP of 6.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[5-[3-[7-(4-fluorocyclohexa-1,2,4-trien-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 176542645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).