6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H30N8O — CID 134435520

IUPAC6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCC(C)COc1cc(-c2ccc(N3CCN(Cc4ncccn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H30N8O/c1-3-20(2)19-36-23-13-24(27-22(14-28)16-32-35(27)17-23)21-5-6-26(31-15-21)34-11-9-33(10-12-34)18-25-29-7-4-8-30-25/h4-8,13,15-17,20H,3,9-12,18-19H2,1-2H3
InChIKeyULOURWITNMIKEE-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.81
Rot. Bonds8

About 6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435520) has the molecular formula C27H30N8O and a molecular weight of 482.59 g/mol. Its IUPAC name is 6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435520
Molecular FormulaC27H30N8O
Molecular Weight482.59 g/mol
Exact Mass482.25
IUPAC Name6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCC(C)COc1cc(-c2ccc(N3CCN(Cc4ncccn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H30N8O/c1-3-20(2)19-36-23-13-24(27-22(14-28)16-32-35(27)17-23)21-5-6-26(31-15-21)34-11-9-33(10-12-34)18-25-29-7-4-8-30-25/h4-8,13,15-17,20H,3,9-12,18-19H2,1-2H3
InChIKeyULOURWITNMIKEE-UHFFFAOYSA-N
XLogP3.81
TPSA95.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435520) is 6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCC(C)COc1cc(-c2ccc(N3CCN(Cc4ncccn4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ULOURWITNMIKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O/c1-3-20(2)19-36-23-13-24(27-22(14-28)16-32-35(27)17-23)21-5-6-26(31-15-21)34-11-9-33(10-12-34)18-25-29-7-4-8-30-25/h4-8,13,15-17,20H,3,9-12,18-19H2,1-2H3.
What are the key properties of 6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 482.59 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).