N-[5-[3-[4-[4-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide

C55H52N16OS — CID 145034722

About N-[5-[3-[4-[4-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide

N-[5-[3-[4-[4-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 145034722) has the molecular formula C55H52N16OS and a molecular weight of 985.20 g/mol. Its IUPAC name is N-[5-[3-[4-[4-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-[4-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 145034722
• Molecular Formula: C55H52N16OS
• Molecular Weight: 985.20 g/mol
• Exact Mass: 984.42
• IUPAC Name: N-[5-[3-[4-[4-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cscc6-c6cc(-c7cncc(CNCC8CCCC8)c7)cc7c(-c8nc9c(N%10CCN(C)CC%10)nccc9[nH]8)n[nH]c67)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C55H52N16OS/c1-3-46(72)61-37-19-36(27-58-28-37)33-8-9-43-39(20-33)49(68-66-43)53-62-44-10-12-59-48(51(44)64-53)42-30-73-29-41(42)38-21-34(35-18-32(25-57-26-35)24-56-23-31-6-4-5-7-31)22-40-47(38)67-69-50(40)54-63-45-11-13-60-55(52(45)65-54)71-16-14-70(2)15-17-71/h8-13,18-22,25-31,56H,3-7,14-17,23-24H2,1-2H3,(H,61,72)(H,62,64)(H,63,65)(H,66,68)(H,67,69)
• InChIKey: IIEOLLGQYRPHGW-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 213.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	985.20
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-[4-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 145034722) is N-[5-[3-[4-[4-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

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

The canonical SMILES for N-[5-[3-[4-[4-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cscc6-c6cc(-c7cncc(CNCC8CCCC8)c7)cc7c(-c8nc9c(N%10CCN(C)CC%10)nccc9[nH]8)n[nH]c67)nccc5[nH]4)c3c2)c1.

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

The InChIKey is IIEOLLGQYRPHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H52N16OS/c1-3-46(72)61-37-19-36(27-58-28-37)33-8-9-43-39(20-33)49(68-66-43)53-62-44-10-12-59-48(51(44)64-53)42-30-73-29-41(42)38-21-34(35-18-32(25-57-26-35)24-56-23-31-6-4-5-7-31)22-40-47(38)67-69-50(40)54-63-45-11-13-60-55(52(45)65-54)71-16-14-70(2)15-17-71/h8-13,18-22,25-31,56H,3-7,14-17,23-24H2,1-2H3,(H,61,72)(H,62,64)(H,63,65)(H,66,68)(H,67,69).

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

N-[5-[3-[4-[4-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 985.20 g/mol, XLogP of 10.22, 13 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-[4-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 145034722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).