5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine

C56H57N13S2 — CID 145246065

IUPAC5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
SMILESC=C(/C=c1/c(-c2cc3c(-c4ccc(C)s4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(CC2CCNCC2)c1.CC.Cc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)cc23)s1
InChIInChI=1S/C31H32N6S.C23H19N7S.C2H6/c1-4-27-25(11-19(2)23-13-22(15-33-16-23)12-21-7-9-32-10-8-21)31(37-36-27)28-14-24-26(17-34-18-29(24)35-28)30-6-5-20(3)38-30;1-12-4-5-22(31-12)16-8-24-9-19-14(16)6-18(27-19)23-15-7-17(26-10-20(15)28-29-23)21-11-25-13(2)30(21)3;1-2/h4-6,11,13-18,21,32,35-36H,2,7-10,12H2,1,3H3;4-11,27H,1-3H3,(H,28,29);1-2H3/b25-11+,27-4+;;
InChIKeySEAPJCPRPZDOKH-BGSODLQDSA-N
MW976.30 g/mol
LogP11.49
Rot. Bonds9

About 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine

5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 145246065) has the molecular formula C56H57N13S2 and a molecular weight of 976.30 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID145246065
Molecular FormulaC56H57N13S2
Molecular Weight976.30 g/mol
Exact Mass975.43
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
SMILESC=C(/C=c1/c(-c2cc3c(-c4ccc(C)s4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(CC2CCNCC2)c1.CC.Cc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)cc23)s1
InChIInChI=1S/C31H32N6S.C23H19N7S.C2H6/c1-4-27-25(11-19(2)23-13-22(15-33-16-23)12-21-7-9-32-10-8-21)31(37-36-27)28-14-24-26(17-34-18-29(24)35-28)30-6-5-20(3)38-30;1-12-4-5-22(31-12)16-8-24-9-19-14(16)6-18(27-19)23-15-7-17(26-10-20(15)28-29-23)21-11-25-13(2)30(21)3;1-2/h4-6,11,13-18,21,32,35-36H,2,7-10,12H2,1,3H3;4-11,27H,1-3H3,(H,28,29);1-2H3/b25-11+,27-4+;;
InChIKeySEAPJCPRPZDOKH-BGSODLQDSA-N
XLogP11.49
TPSA170.35 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500976.30
LogP ≤ 511.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(2-(piperidin-4-yl)ethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224698
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
4-[4-[4-(5-Methylthiophen-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]butanenitrile
CID 164621087
3-[4-[4-(5-Methylthiophen-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]propanenitrile
CID 164622669
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
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

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine (CID 145246065) is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine is C=C(/C=c1/c(-c2cc3c(-c4ccc(C)s4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(CC2CCNCC2)c1.CC.Cc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)cc23)s1.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is SEAPJCPRPZDOKH-BGSODLQDSA-N. The full InChI is InChI=1S/C31H32N6S.C23H19N7S.C2H6/c1-4-27-25(11-19(2)23-13-22(15-33-16-23)12-21-7-9-32-10-8-21)31(37-36-27)28-14-24-26(17-34-18-29(24)35-28)30-6-5-20(3)38-30;1-12-4-5-22(31-12)16-8-24-9-19-14(16)6-18(27-19)23-15-7-17(26-10-20(15)28-29-23)21-11-25-13(2)30(21)3;1-2/h4-6,11,13-18,21,32,35-36H,2,7-10,12H2,1,3H3;4-11,27H,1-3H3,(H,28,29);1-2H3/b25-11+,27-4+;;.
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine?
5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 976.30 g/mol, XLogP of 11.49, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 145246065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).