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

C29H33N7O2 — CID 134435516

IUPAC6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(OCC(C)(C)C)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C29H33N7O2/c1-29(2,3)20-38-24-13-25(28-23(14-30)17-33-36(28)19-24)22-6-7-26(31-16-22)35-11-9-34(10-12-35)18-21-5-8-27(37-4)32-15-21/h5-8,13,15-17,19H,9-12,18,20H2,1-4H3
InChIKeyLXFCOPXVLIKHAD-UHFFFAOYSA-N
MW511.63 g/mol
LogP4.42
Rot. Bonds7

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

6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435516) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is 6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435516
Molecular FormulaC29H33N7O2
Molecular Weight511.63 g/mol
Exact Mass511.27
IUPAC Name6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(OCC(C)(C)C)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C29H33N7O2/c1-29(2,3)20-38-24-13-25(28-23(14-30)17-33-36(28)19-24)22-6-7-26(31-16-22)35-11-9-34(10-12-35)18-21-5-8-27(37-4)32-15-21/h5-8,13,15-17,19H,9-12,18,20H2,1-4H3
InChIKeyLXFCOPXVLIKHAD-UHFFFAOYSA-N
XLogP4.42
TPSA91.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435516) is 6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4cc(OCC(C)(C)C)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is LXFCOPXVLIKHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-29(2,3)20-38-24-13-25(28-23(14-30)17-33-36(28)19-24)22-6-7-26(31-16-22)35-11-9-34(10-12-35)18-21-5-8-27(37-4)32-15-21/h5-8,13,15-17,19H,9-12,18,20H2,1-4H3.
What are the key properties of 6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 511.63 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).