6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H30N6O3 — CID 134510617

About 6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134510617) has the molecular formula C29H30N6O3 and a molecular weight of 510.60 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134510617
• Molecular Formula: C29H30N6O3
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.24
• IUPAC Name: 6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC[C@@H](O)COc1cc(-c2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C29H30N6O3/c1-2-24(36)20-38-25-15-26(29-23(16-30)18-32-35(29)19-25)22-8-9-27(31-17-22)33-10-12-34(13-11-33)28(37)14-21-6-4-3-5-7-21/h3-9,15,17-19,24,36H,2,10-14,20H2,1H3/t24-/m1/s1
• InChIKey: ZJQUJEVNSDNKFN-XMMPIXPASA-N
• XLogP: 3.31
• TPSA: 106.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134510617) is 6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC[C@@H](O)COc1cc(-c2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is ZJQUJEVNSDNKFN-XMMPIXPASA-N. The full InChI is InChI=1S/C29H30N6O3/c1-2-24(36)20-38-25-15-26(29-23(16-30)18-32-35(29)19-25)22-8-9-27(31-17-22)33-10-12-34(13-11-33)28(37)14-21-6-4-3-5-7-21/h3-9,15,17-19,24,36H,2,10-14,20H2,1H3/t24-/m1/s1.

What are the key properties of 6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 510.60 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134510617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).