N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine

C26H28N8 — CID 136968903

About N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine

N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine (PubChem CID 136968903) has the molecular formula C26H28N8 and a molecular weight of 452.57 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine
• PubChem CID: 136968903
• Molecular Formula: C26H28N8
• Molecular Weight: 452.57 g/mol
• Exact Mass: 452.24
• IUPAC Name: N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine
• SMILES: CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(C6CCNCC6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C26H28N8/c1-34(2)15-16-9-19(12-28-11-16)18-3-4-22-20(10-18)25(33-32-22)26-30-23-14-29-13-21(24(23)31-26)17-5-7-27-8-6-17/h3-4,9-14,17,27H,5-8,15H2,1-2H3,(H,30,31)(H,32,33)
• InChIKey: GJYVYSKVCSKFRL-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 98.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.57
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine?

The IUPAC name of N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine (CID 136968903) is N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine.

What is the SMILES notation for N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine?

The canonical SMILES for N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine is CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(C6CCNCC6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine?

The InChIKey is GJYVYSKVCSKFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8/c1-34(2)15-16-9-19(12-28-11-16)18-3-4-22-20(10-18)25(33-32-22)26-30-23-14-29-13-21(24(23)31-26)17-5-7-27-8-6-17/h3-4,9-14,17,27H,5-8,15H2,1-2H3,(H,30,31)(H,32,33).

What are the key properties of N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine?

N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine has a molecular weight of 452.57 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[5-[3-(7-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 136968903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).