1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

C26H28N6O — CID 155983950

About 1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 155983950) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
• PubChem CID: 155983950
• Molecular Formula: C26H28N6O
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.23
• IUPAC Name: 1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
• SMILES: Cc1cccc(CNc2n[nH]c3nc(C4CCN(C(=O)CCc5ccccc5)C4)ccc23)n1
• InChI: InChI=1S/C26H28N6O/c1-18-6-5-9-21(28-18)16-27-25-22-11-12-23(29-26(22)31-30-25)20-14-15-32(17-20)24(33)13-10-19-7-3-2-4-8-19/h2-9,11-12,20H,10,13-17H2,1H3,(H2,27,29,30,31)
• InChIKey: BLLDIDIOQVFPHE-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?

The IUPAC name of 1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 155983950) is 1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

What is the SMILES notation for 1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?

The canonical SMILES for 1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one is Cc1cccc(CNc2n[nH]c3nc(C4CCN(C(=O)CCc5ccccc5)C4)ccc23)n1.

What is the InChIKey of 1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?

The InChIKey is BLLDIDIOQVFPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-18-6-5-9-21(28-18)16-27-25-22-11-12-23(29-26(22)31-30-25)20-14-15-32(17-20)24(33)13-10-19-7-3-2-4-8-19/h2-9,11-12,20H,10,13-17H2,1H3,(H2,27,29,30,31).

What are the key properties of 1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?

1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 440.55 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 155983950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).