N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide

C50H35F2N13OS2 — CID 145034636

About N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide

N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 145034636) has the molecular formula C50H35F2N13OS2 and a molecular weight of 936.05 g/mol. Its IUPAC name is N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
• PubChem CID: 145034636
• Molecular Formula: C50H35F2N13OS2
• Molecular Weight: 936.05 g/mol
• Exact Mass: 935.25
• IUPAC Name: N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
• SMILES: Cc1ccncc1-c1cc2c(-c3nc4c(-c5sccc5-c5c(F)c(-c6cncc(NC(=O)CC(C)C)c6)cc6c(-c7nc8c(-c9cccs9)nccc8[nH]7)n[nH]c56)nccc4[nH]3)n[nH]c2cc1F
• InChI: InChI=1S/C50H35F2N13OS2/c1-23(2)15-38(66)57-26-16-25(20-54-21-26)28-17-31-41(63-65-43(31)50-58-34-7-11-55-46(44(34)60-50)37-5-4-13-67-37)39(40(28)52)27-9-14-68-48(27)47-45-35(8-12-56-47)59-49(61-45)42-30-18-29(32-22-53-10-6-24(32)3)33(51)19-36(30)62-64-42/h4-14,16-23H,15H2,1-3H3,(H,57,66)(H,58,60)(H,59,61)(H,62,64)(H,63,65)
• InChIKey: ISAJHEXEDCRMBW-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 195.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	936.05
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?

The IUPAC name of N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (CID 145034636) is N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.

What is the SMILES notation for N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?

The canonical SMILES for N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is Cc1ccncc1-c1cc2c(-c3nc4c(-c5sccc5-c5c(F)c(-c6cncc(NC(=O)CC(C)C)c6)cc6c(-c7nc8c(-c9cccs9)nccc8[nH]7)n[nH]c56)nccc4[nH]3)n[nH]c2cc1F.

What is the InChIKey of N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?

The InChIKey is ISAJHEXEDCRMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35F2N13OS2/c1-23(2)15-38(66)57-26-16-25(20-54-21-26)28-17-31-41(63-65-43(31)50-58-34-7-11-55-46(44(34)60-50)37-5-4-13-67-37)39(40(28)52)27-9-14-68-48(27)47-45-35(8-12-56-47)59-49(61-45)42-30-18-29(32-22-53-10-6-24(32)3)33(51)19-36(30)62-64-42/h4-14,16-23H,15H2,1-3H3,(H,57,66)(H,58,60)(H,59,61)(H,62,64)(H,63,65).

What are the key properties of N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?

N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 936.05 g/mol, XLogP of 12.14, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-fluoro-7-[2-[2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 145034636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).