5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C51H38N14 — CID 145250199

IUPAC5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccnc(-c7cc(-c8cncc(N)c8)nc8c(-c9cc%10c(-c%11ccncc%11)cccc%10[nH]9)n[nH]c78)c6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C51H38N14/c1-2-53-23-28-17-31(25-55-24-28)39-9-10-42-48(60-39)49(64-62-42)45-21-37-35(6-4-8-41(37)58-45)30-13-16-57-44(19-30)38-22-43(32-18-33(52)27-56-26-32)61-51-47(38)63-65-50(51)46-20-36-34(5-3-7-40(36)59-46)29-11-14-54-15-12-29/h3-22,24-27,53,58-59H,2,23,52H2,1H3,(H,62,64)(H,63,65)
InChIKeyZCHAGRRHTYVASK-UHFFFAOYSA-N
MW846.96 g/mol
LogP10.13
Rot. Bonds10

About 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145250199) has the molecular formula C51H38N14 and a molecular weight of 846.96 g/mol. Its IUPAC name is 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
PubChem CID145250199
Molecular FormulaC51H38N14
Molecular Weight846.96 g/mol
Exact Mass846.34
IUPAC Name5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccnc(-c7cc(-c8cncc(N)c8)nc8c(-c9cc%10c(-c%11ccncc%11)cccc%10[nH]9)n[nH]c78)c6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C51H38N14/c1-2-53-23-28-17-31(25-55-24-28)39-9-10-42-48(60-39)49(64-62-42)45-21-37-35(6-4-8-41(37)58-45)30-13-16-57-44(19-30)38-22-43(32-18-33(52)27-56-26-32)61-51-47(38)63-65-50(51)46-20-36-34(5-3-7-40(36)59-46)29-11-14-54-15-12-29/h3-22,24-27,53,58-59H,2,23,52H2,1H3,(H,62,64)(H,63,65)
InChIKeyZCHAGRRHTYVASK-UHFFFAOYSA-N
XLogP10.13
TPSA204.33 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500846.96
LogP ≤ 510.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 145250199) is 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is CCNCc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccnc(-c7cc(-c8cncc(N)c8)nc8c(-c9cc%10c(-c%11ccncc%11)cccc%10[nH]9)n[nH]c78)c6)cccc5[nH]4)c3n2)c1.
What is the InChIKey of 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The InChIKey is ZCHAGRRHTYVASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N14/c1-2-53-23-28-17-31(25-55-24-28)39-9-10-42-48(60-39)49(64-62-42)45-21-37-35(6-4-8-41(37)58-45)30-13-16-57-44(19-30)38-22-43(32-18-33(52)27-56-26-32)61-51-47(38)63-65-50(51)46-20-36-34(5-3-7-40(36)59-46)29-11-14-54-15-12-29/h3-22,24-27,53,58-59H,2,23,52H2,1H3,(H,62,64)(H,63,65).
What are the key properties of 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 846.96 g/mol, XLogP of 10.13, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145250199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).