4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C25H26N8O2 — CID 134434981

IUPAC4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CC[C@H](Oc4ccc(C)nn4)[C@@H](N)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C25H26N8O2/c1-3-34-19-10-20(25-18(11-26)13-29-33(25)14-19)17-5-6-23(28-12-17)32-9-8-22(21(27)15-32)35-24-7-4-16(2)30-31-24/h4-7,10,12-14,21-22H,3,8-9,15,27H2,1-2H3/t21-,22-/m0/s1
InChIKeyTUXDYTBQSPLOCW-VXKWHMMOSA-N
MW470.54 g/mol
LogP2.75
Rot. Bonds6

About 4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434981) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434981
Molecular FormulaC25H26N8O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC Name4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CC[C@H](Oc4ccc(C)nn4)[C@@H](N)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C25H26N8O2/c1-3-34-19-10-20(25-18(11-26)13-29-33(25)14-19)17-5-6-23(28-12-17)32-9-8-22(21(27)15-32)35-24-7-4-16(2)30-31-24/h4-7,10,12-14,21-22H,3,8-9,15,27H2,1-2H3/t21-,22-/m0/s1
InChIKeyTUXDYTBQSPLOCW-VXKWHMMOSA-N
XLogP2.75
TPSA127.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434981) is 4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CC[C@H](Oc4ccc(C)nn4)[C@@H](N)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is TUXDYTBQSPLOCW-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-3-34-19-10-20(25-18(11-26)13-29-33(25)14-19)17-5-6-23(28-12-17)32-9-8-22(21(27)15-32)35-24-7-4-16(2)30-31-24/h4-7,10,12-14,21-22H,3,8-9,15,27H2,1-2H3/t21-,22-/m0/s1.
What are the key properties of 4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 470.54 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3S,4S)-3-amino-4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).