[3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride

C18H29Cl2N5O — CID 119592769

About [3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride (PubChem CID 119592769) has the molecular formula C18H29Cl2N5O and a molecular weight of 402.37 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride.

Molecular Properties

• Compound Name: [3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
• PubChem CID: 119592769
• Molecular Formula: C18H29Cl2N5O
• Molecular Weight: 402.37 g/mol
• Exact Mass: 401.17
• IUPAC Name: [3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
• SMILES: Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCCC(C(C)N)C1.Cl.Cl
• InChI: InChI=1S/C18H27N5O.2ClH/c1-11(2)23-17-15(9-20-23)8-16(13(4)21-17)18(24)22-7-5-6-14(10-22)12(3)19;;/h8-9,11-12,14H,5-7,10,19H2,1-4H3;2*1H
• InChIKey: VIFPLSFLRRGURD-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 77.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.37
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride?

The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride (CID 119592769) is [3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride.

What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride?

The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride is Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCCC(C(C)N)C1.Cl.Cl.

What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride?

The InChIKey is VIFPLSFLRRGURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O.2ClH/c1-11(2)23-17-15(9-20-23)8-16(13(4)21-17)18(24)22-7-5-6-14(10-22)12(3)19;;/h8-9,11-12,14H,5-7,10,19H2,1-4H3;2*1H.

What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride?

[3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride has a molecular weight of 402.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 119592769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).