N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

C53H52F2N16O — CID 145034334

About N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 145034334) has the molecular formula C53H52F2N16O and a molecular weight of 967.11 g/mol. Its IUPAC name is N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 145034334
• Molecular Formula: C53H52F2N16O
• Molecular Weight: 967.11 g/mol
• Exact Mass: 966.45
• IUPAC Name: N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
• SMILES: CCNCc1cncc(-c2cc3c(-c4nc5c(N6CCCCC6)nccc5[nH]4)[nH]nc3c(C3CCCN(c4nccc5[nH]c(-c6n[nH]c7cc(F)c(-c8cncc(NC(=O)C(C)C)c8)cc67)nc45)C3)c2F)c1
• InChI: InChI=1S/C53H52F2N16O/c1-4-56-22-29-17-31(24-57-23-29)35-20-37-44(67-69-46(37)50-63-39-10-12-59-51(47(39)64-50)70-14-6-5-7-15-70)42(43(35)55)30-9-8-16-71(27-30)52-48-40(11-13-60-52)62-49(65-48)45-36-19-34(38(54)21-41(36)66-68-45)32-18-33(26-58-25-32)61-53(72)28(2)3/h10-13,17-21,23-26,28,30,56H,4-9,14-16,22,27H2,1-3H3,(H,61,72)(H,62,65)(H,63,64)(H,66,68)(H,67,69)
• InChIKey: WIIISUSFAQDKJC-UHFFFAOYSA-N
• XLogP: 9.80
• TPSA: 213.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	967.11
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 145034334) is N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

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

The canonical SMILES for N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is CCNCc1cncc(-c2cc3c(-c4nc5c(N6CCCCC6)nccc5[nH]4)[nH]nc3c(C3CCCN(c4nccc5[nH]c(-c6n[nH]c7cc(F)c(-c8cncc(NC(=O)C(C)C)c8)cc67)nc45)C3)c2F)c1.

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

The InChIKey is WIIISUSFAQDKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H52F2N16O/c1-4-56-22-29-17-31(24-57-23-29)35-20-37-44(67-69-46(37)50-63-39-10-12-59-51(47(39)64-50)70-14-6-5-7-15-70)42(43(35)55)30-9-8-16-71(27-30)52-48-40(11-13-60-52)62-49(65-48)45-36-19-34(38(54)21-41(36)66-68-45)32-18-33(26-58-25-32)61-53(72)28(2)3/h10-13,17-21,23-26,28,30,56H,4-9,14-16,22,27H2,1-3H3,(H,61,72)(H,62,65)(H,63,64)(H,66,68)(H,67,69).

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

N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 967.11 g/mol, XLogP of 9.80, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 145034334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).