N-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

C57H50N16S2 — CID 145249141

IUPACN-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
SMILESC/C(=C\SC(C)C)c1cncc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)nc34)nc12.C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3n2)c1)c1ccccc1
InChIInChI=1S/C29H20N8S.C28H30N8S/c1-17(18-5-3-2-4-6-18)32-21-11-20(12-30-13-21)23-7-8-24-27(33-23)28(37-36-24)29-34-25-15-31-14-22(26(25)35-29)19-9-10-38-16-19;1-17(2)37-16-18(3)21-13-30-14-24-25(21)33-28(32-24)27-26-23(34-35-27)7-6-22(31-26)20-10-19(11-29-12-20)15-36-8-4-5-9-36/h2-16,32H,1H2,(H,34,35)(H,36,37);6-7,10-14,16-17H,4-5,8-9,15H2,1-3H3,(H,32,33)(H,34,35)/b;18-16+
InChIKeyHUXUYTJFZJNIBP-JLWZWKIASA-N
MW1023.27 g/mol
LogP12.83
Rot. Bonds13

About N-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-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-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145249141) has the molecular formula C57H50N16S2 and a molecular weight of 1023.27 g/mol. Its IUPAC name is N-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound NameN-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
PubChem CID145249141
Molecular FormulaC57H50N16S2
Molecular Weight1023.27 g/mol
Exact Mass1022.38
IUPAC NameN-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
SMILESC/C(=C\SC(C)C)c1cncc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)nc34)nc12.C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3n2)c1)c1ccccc1
InChIInChI=1S/C29H20N8S.C28H30N8S/c1-17(18-5-3-2-4-6-18)32-21-11-20(12-30-13-21)23-7-8-24-27(33-23)28(37-36-24)29-34-25-15-31-14-22(26(25)35-29)19-9-10-38-16-19;1-17(2)37-16-18(3)21-13-30-14-24-25(21)33-28(32-24)27-26-23(34-35-27)7-6-22(31-26)20-10-19(11-29-12-20)15-36-8-4-5-9-36/h2-16,32H,1H2,(H,34,35)(H,36,37);6-7,10-14,16-17H,4-5,8-9,15H2,1-3H3,(H,32,33)(H,34,35)/b;18-16+
InChIKeyHUXUYTJFZJNIBP-JLWZWKIASA-N
XLogP12.83
TPSA207.33 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001023.27
LogP ≤ 512.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze N-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine with MolForge

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Related Compounds

N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214328
N-[[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055196
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137088569
2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137312556
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 136495719
N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136213907
N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 136213912
1-cyclopentyl-N-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 136214330
N,N-dimethyl-1-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214370
5-pyridin-3-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214375
1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 136643031
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136643073

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-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-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 145249141) is N-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-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-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-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-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-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)c1cncc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)nc34)nc12.C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3n2)c1)c1ccccc1.
What is the InChIKey of N-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is HUXUYTJFZJNIBP-JLWZWKIASA-N. The full InChI is InChI=1S/C29H20N8S.C28H30N8S/c1-17(18-5-3-2-4-6-18)32-21-11-20(12-30-13-21)23-7-8-24-27(33-23)28(37-36-24)29-34-25-15-31-14-22(26(25)35-29)19-9-10-38-16-19;1-17(2)37-16-18(3)21-13-30-14-24-25(21)33-28(32-24)27-26-23(34-35-27)7-6-22(31-26)20-10-19(11-29-12-20)15-36-8-4-5-9-36/h2-16,32H,1H2,(H,34,35)(H,36,37);6-7,10-14,16-17H,4-5,8-9,15H2,1-3H3,(H,32,33)(H,34,35)/b;18-16+.
What are the key properties of N-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-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-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-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-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-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 145249141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).