N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C24H20N8S — CID 137042113

About N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 137042113) has the molecular formula C24H20N8S and a molecular weight of 452.55 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 137042113
• Molecular Formula: C24H20N8S
• Molecular Weight: 452.55 g/mol
• Exact Mass: 452.15
• IUPAC Name: N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: Cc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N(C)C)c6)nc45)[nH]c23)s1
• InChI: InChI=1S/C24H20N8S/c1-13-4-7-19(33-13)16-8-9-26-23-20(16)28-24(29-23)22-21-18(30-31-22)6-5-17(27-21)14-10-15(32(2)3)12-25-11-14/h4-12H,1-3H3,(H,30,31)(H,26,28,29)
• InChIKey: CYXZGPDXUFCJBP-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.55
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 137042113) is N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is Cc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N(C)C)c6)nc45)[nH]c23)s1.

What is the InChIKey of N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The InChIKey is CYXZGPDXUFCJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8S/c1-13-4-7-19(33-13)16-8-9-26-23-20(16)28-24(29-23)22-21-18(30-31-22)6-5-17(27-21)14-10-15(32(2)3)12-25-11-14/h4-12H,1-3H3,(H,30,31)(H,26,28,29).

What are the key properties of N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 452.55 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137042113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).