6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H31N7O3 — CID 134436394

About 6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436394) has the molecular formula C29H31N7O3 and a molecular weight of 525.61 g/mol. Its IUPAC name is 6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134436394
• Molecular Formula: C29H31N7O3
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.25
• IUPAC Name: 6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CN1CCOC(COc2cc(-c3ccc(N4CCC(Oc5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)C1
• InChI: InChI=1S/C29H31N7O3/c1-34-12-13-37-25(18-34)20-38-24-14-26(29-22(15-30)17-33-36(29)19-24)21-5-6-27(32-16-21)35-10-7-23(8-11-35)39-28-4-2-3-9-31-28/h2-6,9,14,16-17,19,23,25H,7-8,10-13,18,20H2,1H3
• InChIKey: XPWLCQMAMRFBSH-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 101.04 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436394) is 6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CN1CCOC(COc2cc(-c3ccc(N4CCC(Oc5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)C1.

What is the InChIKey of 6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is XPWLCQMAMRFBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O3/c1-34-12-13-37-25(18-34)20-38-24-14-26(29-22(15-30)17-33-36(29)19-24)21-5-6-27(32-16-21)35-10-7-23(8-11-35)39-28-4-2-3-9-31-28/h2-6,9,14,16-17,19,23,25H,7-8,10-13,18,20H2,1H3.

What are the key properties of 6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 525.61 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).