2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol

C57H60N14O2 — CID 137156909

About 2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol

2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol (PubChem CID 137156909) has the molecular formula C57H60N14O2 and a molecular weight of 973.20 g/mol. Its IUPAC name is 2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol
• PubChem CID: 137156909
• Molecular Formula: C57H60N14O2
• Molecular Weight: 973.20 g/mol
• Exact Mass: 972.50
• IUPAC Name: 2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol
• SMILES: CN(C)Cc1cncc(-c2cc(C3CC(c4cncc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCCC9)c8)cc67)nc45)CCC3O)c3n[nH]c(-c4nc5c(C6CCC(O)CC6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C57H60N14O2/c1-70(2)30-32-16-39(25-58-22-32)37-20-42(51-44(21-37)55(69-67-51)57-63-48-28-60-26-45(52(48)64-57)34-6-10-40(72)11-7-34)41-19-36(9-13-50(41)73)46-27-61-29-49-53(46)65-56(62-49)54-43-18-35(8-12-47(43)66-68-54)38-17-33(23-59-24-38)31-71-14-4-3-5-15-71/h8,12,16-18,20-29,34,36,40-41,50,72-73H,3-7,9-11,13-15,19,30-31H2,1-2H3,(H,62,65)(H,63,64)(H,66,68)(H,67,69)
• InChIKey: WKALJZXNITYWGJ-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 213.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	973.20
LogP ≤ 5	9.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol?

The IUPAC name of 2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol (CID 137156909) is 2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol.

What is the SMILES notation for 2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol?

The canonical SMILES for 2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol is CN(C)Cc1cncc(-c2cc(C3CC(c4cncc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCCC9)c8)cc67)nc45)CCC3O)c3n[nH]c(-c4nc5c(C6CCC(O)CC6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of 2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol?

The InChIKey is WKALJZXNITYWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H60N14O2/c1-70(2)30-32-16-39(25-58-22-32)37-20-42(51-44(21-37)55(69-67-51)57-63-48-28-60-26-45(52(48)64-57)34-6-10-40(72)11-7-34)41-19-36(9-13-50(41)73)46-27-61-29-49-53(46)65-56(62-49)54-43-18-35(8-12-47(43)66-68-54)38-17-33(23-59-24-38)31-71-14-4-3-5-15-71/h8,12,16-18,20-29,34,36,40-41,50,72-73H,3-7,9-11,13-15,19,30-31H2,1-2H3,(H,62,65)(H,63,64)(H,66,68)(H,67,69).

What are the key properties of 2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol?

2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol has a molecular weight of 973.20 g/mol, XLogP of 9.92, 11 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol is sourced from PubChem (CID 137156909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).