3-[3-[(1S)-1-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C30H27N9 — CID 177272703

About 3-[3-[(1S)-1-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[(1S)-1-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 177272703) has the molecular formula C30H27N9 and a molecular weight of 513.61 g/mol. Its IUPAC name is 3-[3-[(1S)-1-[(6-methyl-3-pyridinyl)methylamino]-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-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 177272703
• Molecular Formula: C30H27N9
• Molecular Weight: 513.61 g/mol
• Exact Mass: 513.24
• IUPAC Name: 3-[3-[(1S)-1-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: Cc1ccc(CN[C@H]2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)cn1
• InChI: InChI=1S/C30H27N9/c1-19-5-6-20(17-33-19)18-34-25-10-7-21-16-22(8-9-23(21)25)39-29(24-4-2-13-32-28(24)31)36-26-11-12-27(37-30(26)39)38-15-3-14-35-38/h2-6,8-9,11-17,25,34H,7,10,18H2,1H3,(H2,31,32)/t25-/m0/s1
• InChIKey: OPFGHPVDPRRFPP-VWLOTQADSA-N
• XLogP: 4.73
• TPSA: 112.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.61
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-[(6-methyl-3-pyridinyl)methylamino]-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-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 177272703) is 3-[3-[(1S)-1-[(6-methyl-3-pyridinyl)methylamino]-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-[(6-methyl-3-pyridinyl)methylamino]-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-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Cc1ccc(CN[C@H]2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)cn1.

What is the InChIKey of 3-[3-[(1S)-1-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is OPFGHPVDPRRFPP-VWLOTQADSA-N. The full InChI is InChI=1S/C30H27N9/c1-19-5-6-20(17-33-19)18-34-25-10-7-21-16-22(8-9-23(21)25)39-29(24-4-2-13-32-28(24)31)36-26-11-12-27(37-30(26)39)38-15-3-14-35-38/h2-6,8-9,11-17,25,34H,7,10,18H2,1H3,(H2,31,32)/t25-/m0/s1.

What are the key properties of 3-[3-[(1S)-1-[(6-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-[3-[(1S)-1-[(6-methyl-3-pyridinyl)methylamino]-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 513.61 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(1S)-1-[(6-methyl-3-pyridinyl)methylamino]-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 177272703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).