N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide

C54H52F2N10O3 — CID 123169287

About N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide

N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide (PubChem CID 123169287) has the molecular formula C54H52F2N10O3 and a molecular weight of 927.07 g/mol. Its IUPAC name is N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide
• PubChem CID: 123169287
• Molecular Formula: C54H52F2N10O3
• Molecular Weight: 927.07 g/mol
• Exact Mass: 926.42
• IUPAC Name: N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide
• SMILES: Cc1cc(-c2n[nH]c3ccc(C(=O)NC4CCC5CCC4N5Cc4ccccc4F)cc23)cc(-c2cc(F)cc(CCN3CCOCC(NC(=O)c4ccc5[nH]nc(-c6ccncc6)c5c4)C3)c2)n1
• InChI: InChI=1S/C54H52F2N10O3/c1-32-22-39(52-44-27-36(7-11-47(44)62-64-52)54(68)60-48-12-8-42-9-13-50(48)66(42)29-37-4-2-3-5-45(37)56)28-49(58-32)38-23-33(24-40(55)25-38)16-19-65-20-21-69-31-41(30-65)59-53(67)35-6-10-46-43(26-35)51(63-61-46)34-14-17-57-18-15-34/h2-7,10-11,14-15,17-18,22-28,41-42,48,50H,8-9,12-13,16,19-21,29-31H2,1H3,(H,59,67)(H,60,68)(H,61,63)(H,62,64)
• InChIKey: BBOXDDFZTGUBJH-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 157.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.07
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide?

The IUPAC name of N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide (CID 123169287) is N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide.

What is the SMILES notation for N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide?

The canonical SMILES for N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC4CCC5CCC4N5Cc4ccccc4F)cc23)cc(-c2cc(F)cc(CCN3CCOCC(NC(=O)c4ccc5[nH]nc(-c6ccncc6)c5c4)C3)c2)n1.

What is the InChIKey of N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide?

The InChIKey is BBOXDDFZTGUBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52F2N10O3/c1-32-22-39(52-44-27-36(7-11-47(44)62-64-52)54(68)60-48-12-8-42-9-13-50(48)66(42)29-37-4-2-3-5-45(37)56)28-49(58-32)38-23-33(24-40(55)25-38)16-19-65-20-21-69-31-41(30-65)59-53(67)35-6-10-46-43(26-35)51(63-61-46)34-14-17-57-18-15-34/h2-7,10-11,14-15,17-18,22-28,41-42,48,50H,8-9,12-13,16,19-21,29-31H2,1H3,(H,59,67)(H,60,68)(H,61,63)(H,62,64).

What are the key properties of N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide?

N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide has a molecular weight of 927.07 g/mol, XLogP of 8.42, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 123169287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).