N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

C57H50N16S2 — CID 145245160

About N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145245160) has the molecular formula C57H50N16S2 and a molecular weight of 1023.27 g/mol. Its IUPAC name is N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 145245160
• Molecular Formula: C57H50N16S2
• Molecular Weight: 1023.27 g/mol
• Exact Mass: 1022.38
• IUPAC Name: N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: C/C(=C\SC(C)C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)nc34)nc12.C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3n2)c1)c1ccccc1
• InChI: InChI=1S/C29H20N8S.C28H30N8S/c1-17(18-5-3-2-4-6-18)32-21-13-20(14-30-15-21)22-7-8-24-27(33-22)28(37-36-24)29-34-23-9-11-31-25(26(23)35-29)19-10-12-38-16-19;1-17(2)37-16-18(3)24-25-22(8-9-30-24)32-28(33-25)27-26-23(34-35-27)7-6-21(31-26)20-12-19(13-29-14-20)15-36-10-4-5-11-36/h2-16,32H,1H2,(H,34,35)(H,36,37);6-9,12-14,16-17H,4-5,10-11,15H2,1-3H3,(H,32,33)(H,34,35)/b;18-16+
• InChIKey: JEVUTTLJSQDVPD-JLWZWKIASA-N
• XLogP: 12.83
• TPSA: 207.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1023.27
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 145245160) is N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is C/C(=C\SC(C)C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)nc34)nc12.C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3n2)c1)c1ccccc1.

What is the InChIKey of N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is JEVUTTLJSQDVPD-JLWZWKIASA-N. The full InChI is InChI=1S/C29H20N8S.C28H30N8S/c1-17(18-5-3-2-4-6-18)32-21-13-20(14-30-15-21)22-7-8-24-27(33-22)28(37-36-24)29-34-23-9-11-31-25(26(23)35-29)19-10-12-38-16-19;1-17(2)37-16-18(3)24-25-22(8-9-30-24)32-28(33-25)27-26-23(34-35-27)7-6-21(31-26)20-12-19(13-29-14-20)15-36-10-4-5-11-36/h2-16,32H,1H2,(H,34,35)(H,36,37);6-9,12-14,16-17H,4-5,10-11,15H2,1-3H3,(H,32,33)(H,34,35)/b;18-16+.

What are the key properties of N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 1023.27 g/mol, XLogP of 12.83, 13 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145245160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).