3-[3-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C28H24N10O — CID 177272579

About 3-[3-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 177272579) has the molecular formula C28H24N10O and a molecular weight of 516.57 g/mol. Its IUPAC name is 3-[3-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-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-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 177272579
• Molecular Formula: C28H24N10O
• Molecular Weight: 516.57 g/mol
• Exact Mass: 516.21
• IUPAC Name: 3-[3-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CC[C@@H]2n1cc(C2COC2)nn1
• InChI: InChI=1S/C28H24N10O/c29-26-21(3-1-10-30-26)27-32-22-7-9-25(36-12-2-11-31-36)33-28(22)38(27)19-5-6-20-17(13-19)4-8-24(20)37-14-23(34-35-37)18-15-39-16-18/h1-3,5-7,9-14,18,24H,4,8,15-16H2,(H2,29,30)/t24-/m0/s1
• InChIKey: PLZZIHLVLBGHOF-DEOSSOPVSA-N
• XLogP: 3.49
• TPSA: 127.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.57
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-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-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 177272579) is 3-[3-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-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-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-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-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CC[C@@H]2n1cc(C2COC2)nn1.

What is the InChIKey of 3-[3-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is PLZZIHLVLBGHOF-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H24N10O/c29-26-21(3-1-10-30-26)27-32-22-7-9-25(36-12-2-11-31-36)33-28(22)38(27)19-5-6-20-17(13-19)4-8-24(20)37-14-23(34-35-37)18-15-39-16-18/h1-3,5-7,9-14,18,24H,4,8,15-16H2,(H2,29,30)/t24-/m0/s1.

What are the key properties of 3-[3-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-[3-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-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 516.57 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(1S)-1-[4-(oxetan-3-yl)triazol-1-yl]-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 177272579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).