3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C31H36N10 — CID 176699005

About 3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 176699005) has the molecular formula C31H36N10 and a molecular weight of 548.70 g/mol. Its IUPAC name is 3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 176699005
• Molecular Formula: C31H36N10
• Molecular Weight: 548.70 g/mol
• Exact Mass: 548.31
• IUPAC Name: 3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: CN(C)CN1CCC(NC2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)CC1
• InChI: InChI=1S/C31H36N10/c1-38(2)20-39-17-12-22(13-18-39)35-26-9-6-21-19-23(7-8-24(21)26)41-30(25-5-3-14-33-29(25)32)36-27-10-11-28(37-31(27)41)40-16-4-15-34-40/h3-5,7-8,10-11,14-16,19,22,26,35H,6,9,12-13,17-18,20H2,1-2H3,(H2,32,33)
• InChIKey: OMVVABJHOLEQMK-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 105.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.70
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 176699005) is 3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CN(C)CN1CCC(NC2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)CC1.

What is the InChIKey of 3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is OMVVABJHOLEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N10/c1-38(2)20-39-17-12-22(13-18-39)35-26-9-6-21-19-23(7-8-24(21)26)41-30(25-5-3-14-33-29(25)32)36-27-10-11-28(37-31(27)41)40-16-4-15-34-40/h3-5,7-8,10-11,14-16,19,22,26,35H,6,9,12-13,17-18,20H2,1-2H3,(H2,32,33).

What are the key properties of 3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 548.70 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[1-[[1-[(dimethylamino)methyl]piperidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 176699005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).