N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide

C32H24FN9O — CID 145035266

About N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide

N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 145035266) has the molecular formula C32H24FN9O and a molecular weight of 569.60 g/mol. Its IUPAC name is N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
• PubChem CID: 145035266
• Molecular Formula: C32H24FN9O
• Molecular Weight: 569.60 g/mol
• Exact Mass: 569.21
• IUPAC Name: N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
• SMILES: NC1=CC=C(c2ccncc2)c2nc(-c3n[nH]c4cnc(-c5cncc(NC(=O)Cc6ccccc6)c5)c(F)c34)[nH]c2C1
• InChI: InChI=1S/C32H24FN9O/c33-28-27-25(17-37-29(28)20-13-22(16-36-15-20)38-26(43)12-18-4-2-1-3-5-18)41-42-31(27)32-39-24-14-21(34)6-7-23(30(24)40-32)19-8-10-35-11-9-19/h1-11,13,15-17H,12,14,34H2,(H,38,43)(H,39,40)(H,41,42)
• InChIKey: JXLHFQHUJKGRCV-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 151.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.60
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

The IUPAC name of N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 145035266) is N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

What is the SMILES notation for N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

The canonical SMILES for N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is NC1=CC=C(c2ccncc2)c2nc(-c3n[nH]c4cnc(-c5cncc(NC(=O)Cc6ccccc6)c5)c(F)c34)[nH]c2C1.

What is the InChIKey of N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

The InChIKey is JXLHFQHUJKGRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN9O/c33-28-27-25(17-37-29(28)20-13-22(16-36-15-20)38-26(43)12-18-4-2-1-3-5-18)41-42-31(27)32-39-24-14-21(34)6-7-23(30(24)40-32)19-8-10-35-11-9-19/h1-11,13,15-17H,12,14,34H2,(H,38,43)(H,39,40)(H,41,42).

What are the key properties of N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 569.60 g/mol, XLogP of 4.96, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 145035266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).