2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

C105H90N32O4S4 — CID 158334652

IUPAC2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C)s6)cncc5[nH]4)c3c2)c1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)C(C)(C)C)c6)cc45)nc23)s1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)C(C)C)c6)cc45)nc23)s1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)CC(C)C)c6)cc45)nc23)s1
InChIInChI=1S/2C27H24N8OS.C26H22N8OS.C25H20N8OS/c1-14-5-6-21(37-14)19-12-29-13-20-22(19)33-25(32-20)23-18-8-16(10-30-24(18)35-34-23)15-7-17(11-28-9-15)31-26(36)27(2,3)4;1-14(2)6-23(36)31-18-7-16(9-28-11-18)17-8-19-25(34-35-26(19)30-10-17)27-32-21-13-29-12-20(24(21)33-27)22-5-4-15(3)37-22;1-13(2)26(35)30-17-6-15(8-27-10-17)16-7-18-23(33-34-24(18)29-9-16)25-31-20-12-28-11-19(22(20)32-25)21-5-4-14(3)36-21;1-3-21(34)29-16-6-14(8-26-10-16)15-7-17-23(32-33-24(17)28-9-15)25-30-19-12-27-11-18(22(19)31-25)20-5-4-13(2)35-20/h5-13H,1-4H3,(H,31,36)(H,32,33)(H,30,34,35);4-5,7-14H,6H2,1-3H3,(H,31,36)(H,32,33)(H,30,34,35);4-13H,1-3H3,(H,30,35)(H,31,32)(H,29,33,34);4-12H,3H2,1-2H3,(H,29,34)(H,30,31)(H,28,32,33)
InChIKeyGQKWSSRERUWMTJ-UHFFFAOYSA-N
MW1992.36 g/mol
LogP22.89
Rot. Bonds20

About 2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 158334652) has the molecular formula C105H90N32O4S4 and a molecular weight of 1992.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
PubChem CID158334652
Molecular FormulaC105H90N32O4S4
Molecular Weight1992.36 g/mol
Exact Mass1990.67
IUPAC Name2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C)s6)cncc5[nH]4)c3c2)c1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)C(C)(C)C)c6)cc45)nc23)s1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)C(C)C)c6)cc45)nc23)s1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)CC(C)C)c6)cc45)nc23)s1
InChIInChI=1S/2C27H24N8OS.C26H22N8OS.C25H20N8OS/c1-14-5-6-21(37-14)19-12-29-13-20-22(19)33-25(32-20)23-18-8-16(10-30-24(18)35-34-23)15-7-17(11-28-9-15)31-26(36)27(2,3)4;1-14(2)6-23(36)31-18-7-16(9-28-11-18)17-8-19-25(34-35-26(19)30-10-17)27-32-21-13-29-12-20(24(21)33-27)22-5-4-15(3)37-22;1-13(2)26(35)30-17-6-15(8-27-10-17)16-7-18-23(33-34-24(18)29-9-16)25-31-20-12-28-11-19(22(20)32-25)21-5-4-14(3)36-21;1-3-21(34)29-16-6-14(8-26-10-16)15-7-17-23(32-33-24(17)28-9-15)25-30-19-12-27-11-18(22(19)31-25)20-5-4-13(2)35-20/h5-13H,1-4H3,(H,31,36)(H,32,33)(H,30,34,35);4-5,7-14H,6H2,1-3H3,(H,31,36)(H,32,33)(H,30,34,35);4-13H,1-3H3,(H,30,35)(H,31,32)(H,29,33,34);4-12H,3H2,1-2H3,(H,29,34)(H,30,31)(H,28,32,33)
InChIKeyGQKWSSRERUWMTJ-UHFFFAOYSA-N
XLogP22.89
TPSA500.52 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms145
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001992.36
LogP ≤ 522.89
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze 2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 158334652) is 2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C)s6)cncc5[nH]4)c3c2)c1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)C(C)(C)C)c6)cc45)nc23)s1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)C(C)C)c6)cc45)nc23)s1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)CC(C)C)c6)cc45)nc23)s1.
What is the InChIKey of 2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The InChIKey is GQKWSSRERUWMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H24N8OS.C26H22N8OS.C25H20N8OS/c1-14-5-6-21(37-14)19-12-29-13-20-22(19)33-25(32-20)23-18-8-16(10-30-24(18)35-34-23)15-7-17(11-28-9-15)31-26(36)27(2,3)4;1-14(2)6-23(36)31-18-7-16(9-28-11-18)17-8-19-25(34-35-26(19)30-10-17)27-32-21-13-29-12-20(24(21)33-27)22-5-4-15(3)37-22;1-13(2)26(35)30-17-6-15(8-27-10-17)16-7-18-23(33-34-24(18)29-9-16)25-31-20-12-28-11-19(22(20)32-25)21-5-4-14(3)36-21;1-3-21(34)29-16-6-14(8-26-10-16)15-7-17-23(32-33-24(17)28-9-15)25-30-19-12-27-11-18(22(19)31-25)20-5-4-13(2)35-20/h5-13H,1-4H3,(H,31,36)(H,32,33)(H,30,34,35);4-5,7-14H,6H2,1-3H3,(H,31,36)(H,32,33)(H,30,34,35);4-13H,1-3H3,(H,30,35)(H,31,32)(H,29,33,34);4-12H,3H2,1-2H3,(H,29,34)(H,30,31)(H,28,32,33).
What are the key properties of 2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 1992.36 g/mol, XLogP of 22.89, 20 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 158334652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).