6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H29N7O3 — CID 134436657

About 6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436657) has the molecular formula C27H29N7O3 and a molecular weight of 499.58 g/mol. Its IUPAC name is 6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134436657
• Molecular Formula: C27H29N7O3
• Molecular Weight: 499.58 g/mol
• Exact Mass: 499.23
• IUPAC Name: 6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2CCN(c3ccc(-c4cc(OC[C@H](C)O)cn5ncc(C#N)c45)cn3)CC2)nc1
• InChI: InChI=1S/C27H29N7O3/c1-19(35)18-37-24-11-25(27-21(12-28)14-31-34(27)17-24)20-3-6-26(30-13-20)33-9-7-32(8-10-33)16-22-4-5-23(36-2)15-29-22/h3-6,11,13-15,17,19,35H,7-10,16,18H2,1-2H3/t19-/m0/s1
• InChIKey: JEZQAZLXQSRVGE-IBGZPJMESA-N
• XLogP: 2.75
• TPSA: 112.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.58
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436657) is 6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4cc(OC[C@H](C)O)cn5ncc(C#N)c45)cn3)CC2)nc1.

What is the InChIKey of 6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is JEZQAZLXQSRVGE-IBGZPJMESA-N. The full InChI is InChI=1S/C27H29N7O3/c1-19(35)18-37-24-11-25(27-21(12-28)14-31-34(27)17-24)20-3-6-26(30-13-20)33-9-7-32(8-10-33)16-22-4-5-23(36-2)15-29-22/h3-6,11,13-15,17,19,35H,7-10,16,18H2,1-2H3/t19-/m0/s1.

What are the key properties of 6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 499.58 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).