5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C49H36N16 — CID 137037436

IUPAC5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccnc(-c7cc(-c8cncc(N)c8)cc8c(-c9nc%10c(-c%11ccncc%11)cncc%10[nH]9)n[nH]c78)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C49H36N16/c1-2-51-17-26-11-31(19-53-18-26)28-3-4-39-34(13-28)46(64-62-39)48-58-42-25-56-23-38(45(42)61-48)29-7-10-57-40(16-29)35-14-30(32-12-33(50)21-54-20-32)15-36-43(35)63-65-47(36)49-59-41-24-55-22-37(44(41)60-49)27-5-8-52-9-6-27/h3-16,18-25,51H,2,17,50H2,1H3,(H,58,61)(H,59,60)(H,62,64)(H,63,65)
InChIKeyGQVKRMCFXHZENY-UHFFFAOYSA-N
MW848.94 g/mol
LogP8.92
Rot. Bonds10

About 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137037436) has the molecular formula C49H36N16 and a molecular weight of 848.94 g/mol. Its IUPAC name is 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
PubChem CID137037436
Molecular FormulaC49H36N16
Molecular Weight848.94 g/mol
Exact Mass848.33
IUPAC Name5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccnc(-c7cc(-c8cncc(N)c8)cc8c(-c9nc%10c(-c%11ccncc%11)cncc%10[nH]9)n[nH]c78)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C49H36N16/c1-2-51-17-26-11-31(19-53-18-26)28-3-4-39-34(13-28)46(64-62-39)48-58-42-25-56-23-38(45(42)61-48)29-7-10-57-40(16-29)35-14-30(32-12-33(50)21-54-20-32)15-36-43(35)63-65-47(36)49-59-41-24-55-22-37(44(41)60-49)27-5-8-52-9-6-27/h3-16,18-25,51H,2,17,50H2,1H3,(H,58,61)(H,59,60)(H,62,64)(H,63,65)
InChIKeyGQVKRMCFXHZENY-UHFFFAOYSA-N
XLogP8.92
TPSA230.11 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500848.94
LogP ≤ 58.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 137037436) is 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccnc(-c7cc(-c8cncc(N)c8)cc8c(-c9nc%10c(-c%11ccncc%11)cncc%10[nH]9)n[nH]c78)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is GQVKRMCFXHZENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N16/c1-2-51-17-26-11-31(19-53-18-26)28-3-4-39-34(13-28)46(64-62-39)48-58-42-25-56-23-38(45(42)61-48)29-7-10-57-40(16-29)35-14-30(32-12-33(50)21-54-20-32)15-36-43(35)63-65-47(36)49-59-41-24-55-22-37(44(41)60-49)27-5-8-52-9-6-27/h3-16,18-25,51H,2,17,50H2,1H3,(H,58,61)(H,59,60)(H,62,64)(H,63,65).
What are the key properties of 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 848.94 g/mol, XLogP of 8.92, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137037436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).