1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide

C33H29N9O3 — CID 177272739

About 1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide

1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 177272739) has the molecular formula C33H29N9O3 and a molecular weight of 599.66 g/mol. Its IUPAC name is 1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
• PubChem CID: 177272739
• Molecular Formula: C33H29N9O3
• Molecular Weight: 599.66 g/mol
• Exact Mass: 599.24
• IUPAC Name: 1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
• SMILES: CN(C)C(=O)c1cc(C(=O)N[C@H]2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)ccc1O
• InChI: InChI=1S/C33H29N9O3/c1-40(2)33(45)24-18-20(7-12-27(24)43)32(44)38-25-10-6-19-17-21(8-9-22(19)25)42-30(23-5-3-14-35-29(23)34)37-26-11-13-28(39-31(26)42)41-16-4-15-36-41/h3-5,7-9,11-18,25,43H,6,10H2,1-2H3,(H2,34,35)(H,38,44)/t25-/m0/s1
• InChIKey: GLOGWOIFXMZHPE-VWLOTQADSA-N
• XLogP: 4.08
• TPSA: 157.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.66
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?

The IUPAC name of 1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 177272739) is 1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide.

What is the SMILES notation for 1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?

The canonical SMILES for 1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide is CN(C)C(=O)c1cc(C(=O)N[C@H]2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)ccc1O.

What is the InChIKey of 1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?

The InChIKey is GLOGWOIFXMZHPE-VWLOTQADSA-N. The full InChI is InChI=1S/C33H29N9O3/c1-40(2)33(45)24-18-20(7-12-27(24)43)32(44)38-25-10-6-19-17-21(8-9-22(19)25)42-30(23-5-3-14-35-29(23)34)37-26-11-13-28(39-31(26)42)41-16-4-15-36-41/h3-5,7-9,11-18,25,43H,6,10H2,1-2H3,(H2,34,35)(H,38,44)/t25-/m0/s1.

What are the key properties of 1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?

1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 599.66 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 177272739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).